Mon Feb 5 07:37:11 MST 1996 Database ............................ medchem96.THOR Datatypes database .................. medchem96_datatypes Indirect reference database ......... medchem96_indirect Monomer-definitions database ........ Primary hash-table: # of TDTs ....... 32475 Primary hash-table: bytes used ...... 32431513 (100.0%) Primary hash-table: bytes free ...... 0 (0.0%) Cross-ref. hash-table: # of TDTs .... 141995 Cross-ref. hash-table: bytes used ... 11083323 (100.0%) Cross-ref. hash-table: bytes free ... 0 (0.0%) Crunch limit ........................ 0.5 datatypes #dataitems #tdts (% of total) avg#/tdt max tdt sizeKB ======================= =========== ================== ======== ======== ====== $CAS CAS Number 17058 16688 ( 51.4) 1.0 5 252 $CLG Cluster generat 1 1 ( 0.0) 1.0 1 0 $D3D Conformation 28699 28699 ( 88.4) 1.0 1 17624 $FPG FP generation 1 1 ( 0.0) 1.0 1 0 $GRF Graph 32472 32472 (100.0) 1.0 1 1130 $NAM Name 38675 32449 ( 99.9) 1.2 22 1095 $NNG NN generation 1 1 ( 0.0) 1.0 1 0 $SMI SMILES 32472 32472 (100.0) 1.0 1 1204 $SS Subset 1153 662 ( 2.0) 1.7 5 14 $WLN WLN 32743 32140 ( 99.0) 1.0 22 819 ----------------------- ----------- ------------------ -------- -------- ------ total identifiers 183275 32475 (100.0) 5.6 52 22139 ======================= =========== ================== ======== ======== ====== AC Activity type 8158 8019 ( 24.7) 1.0 3 93 CL Cluster 27985 27984 ( 86.2) 1.0 2 566 CP CLOGP 28093 28093 ( 86.5) 1.0 1 504 CPB CPB 420 420 ( 1.3) 1.0 1 5 CR CMR 30408 30408 ( 93.6) 1.0 1 541 F Formula 32469 32469 (100.0) 1.0 1 384 FP Fingerprint 32469 32469 (100.0) 1.0 1 2756 MR MR 349 347 ( 1.1) 1.0 2 5 P LogP 47243 20041 ( 61.7) 2.4 292 1109 P1 LogPstar 18142 9572 ( 29.5) 1.9 6 144 P2 LogPgood 678 641 ( 2.0) 1.1 13 6 PCN Local Name 62927 32417 ( 99.8) 1.9 24 2048 PKA pKa 12725 10427 ( 32.1) 1.2 24 341 PKA1 pKa 215 211 ( 0.6) 1.0 2 4 REM Remark 334 333 ( 1.0) 1.0 2 13 TS Timestamp 32475 32475 (100.0) 1.0 1 603 ----------------------- ----------- ------------------ -------- -------- ------ total non-identifiers 335090 32475 (100.0) 10.3 311 9120 ======================= =========== ================== ======== ======== ====== total all datatypes 518365 32475 (100.0) 16.0 320 31259