Number | Explanation |
---|

0 | All fragments measured |

10 | Valid estimate for difficult structure |

20 | Estimated fragment value used |

30 | Approximated fragment value used |

31 | Benzyl approximation used |

32 | Vinyl approximation used |

33 | New approximated fragment value used |

40 | A priori fragment value used |

41 | Benzyl approx. based on a priori value |

42 | Vinyl approx. based on a priori value |

43 | Other a priori fragment value used |

50 | Warning, hard-to-estimate structure |

51 | Very high LogP unrealistic in nature |

52 | "X/Y-C-C-Y" excessive structure |

54 | Possibly low due to hydrophillic overlap |

55 | Possibly anomalous steroid |

56 | Possibly anomalous alkaloid |

57 | Error uncertain for charged structures |

58 | (NEW) STRUCTURE CAUGHT IN SCREEN |

60 | INVALID due to missing fragment value |

70 | Apparent impossible structure |

71 | CLOGP3 can't do disconnected structures |

72 | Apparent impossible structure |

80 | INVALID smiles input (fatal) |

90 | NULL smiles input (fatal) |