Drug ID:   | NPD8132 |
Drug Name:   | |
Molecular Formula:   | C38H60O11 |
Canonical SMILES:   | OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(=O)C)C[C@]3([C@H](C2(C)C)CCC2=C3CC[C@@]3([C@]2(C)CC(=O)[C@]([C@@H]3C(=O)O)(C)C(C(C)C)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O |
Standard InCHI:   | InChI=1S/C38H60O11/c1-18(2)19(3)38(10)26(41)16-37(9)22-11-12-25-34(5,6)31(49-33-29(44)28(43)27(42)24(17-39)48-33)23(47-20(4)40)15-35(25,7)21(22)13-14-36(37,8)30(38)32(45)46/h18-19,23-25,27-31,33,39,42-44H,11-17H2,1-10H3,(H,45,46)/t19?,23-,24-,25+,27-,28+,29-,30-,31+,33+,35-,36+,37-,38+/m1/s1 |
Standard InCHIKey:   | FBAPXRMZLULGNA-LEAUMUBASA-N |
Max Developmental Stage:   | Clinical (unspecified phase) |
Max Developmental Stage Source:   | TTD |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
Similarity Level | Similarity Score | Natural Product ID |
---|---|---|
High Similarity | 0.9327 | NPC220984 |
High Similarity | 0.932 | NPC285576 |
High Similarity | 0.9231 | NPC137917 |
High Similarity | 0.9151 | NPC477253 |
High Similarity | 0.9151 | NPC125923 |
High Similarity | 0.9151 | NPC65590 |
High Similarity | 0.9151 | NPC64106 |
High Similarity | 0.9151 | NPC212968 |
High Similarity | 0.9151 | NPC116794 |
High Similarity | 0.9143 | NPC110139 |
High Similarity | 0.9143 | NPC7870 |
High Similarity | 0.9143 | NPC75747 |
High Similarity | 0.9143 | NPC78046 |
High Similarity | 0.9143 | NPC269095 |
High Similarity | 0.9143 | NPC68419 |
High Similarity | 0.9143 | NPC199457 |
High Similarity | 0.9143 | NPC102914 |
High Similarity | 0.9143 | NPC108709 |
High Similarity | 0.9065 | NPC271138 |
High Similarity | 0.9065 | NPC269315 |
High Similarity | 0.9057 | NPC190837 |
High Similarity | 0.9057 | NPC191763 |
High Similarity | 0.9057 | NPC179434 |
High Similarity | 0.9048 | NPC127853 |
High Similarity | 0.9048 | NPC306746 |
High Similarity | 0.9048 | NPC167383 |
High Similarity | 0.9048 | NPC204407 |
High Similarity | 0.9048 | NPC57362 |
High Similarity | 0.9048 | NPC237503 |
High Similarity | 0.8991 | NPC477252 |
High Similarity | 0.8981 | NPC475633 |
High Similarity | 0.8972 | NPC195132 |
High Similarity | 0.8972 | NPC37739 |
High Similarity | 0.8972 | NPC473383 |
High Similarity | 0.8972 | NPC471967 |
High Similarity | 0.8972 | NPC161434 |
High Similarity | 0.8972 | NPC139894 |
High Similarity | 0.8972 | NPC48249 |
High Similarity | 0.8972 | NPC256798 |
High Similarity | 0.8972 | NPC128925 |
High Similarity | 0.8972 | NPC46388 |
High Similarity | 0.8962 | NPC174679 |
High Similarity | 0.8962 | NPC164194 |
High Similarity | 0.8962 | NPC279554 |
High Similarity | 0.8962 | NPC476880 |
High Similarity | 0.8962 | NPC90856 |
High Similarity | 0.8962 | NPC476881 |
High Similarity | 0.8962 | NPC59804 |
High Similarity | 0.8962 | NPC270667 |
High Similarity | 0.8962 | NPC476884 |
High Similarity | 0.8962 | NPC136877 |
High Similarity | 0.8962 | NPC127056 |
High Similarity | 0.8962 | NPC476882 |
High Similarity | 0.8962 | NPC475296 |
High Similarity | 0.8962 | NPC476883 |
High Similarity | 0.8962 | NPC274507 |
High Similarity | 0.8962 | NPC476886 |
High Similarity | 0.8962 | NPC56713 |
High Similarity | 0.8962 | NPC29069 |
High Similarity | 0.8962 | NPC474589 |
High Similarity | 0.8962 | NPC476885 |
High Similarity | 0.8962 | NPC476887 |
High Similarity | 0.8952 | NPC177246 |
High Similarity | 0.8952 | NPC476123 |
High Similarity | 0.8952 | NPC28198 |
High Similarity | 0.8952 | NPC284807 |
High Similarity | 0.8889 | NPC163183 |
High Similarity | 0.8889 | NPC475208 |
High Similarity | 0.8889 | NPC150400 |
High Similarity | 0.8889 | NPC73318 |
High Similarity | 0.8889 | NPC189884 |
High Similarity | 0.8889 | NPC238935 |
High Similarity | 0.8889 | NPC96641 |
High Similarity | 0.8889 | NPC204458 |
High Similarity | 0.8889 | NPC134835 |
High Similarity | 0.8889 | NPC473343 |
High Similarity | 0.8889 | NPC138334 |
High Similarity | 0.8889 | NPC47063 |
High Similarity | 0.8879 | NPC285410 |
High Similarity | 0.8879 | NPC473481 |
High Similarity | 0.8879 | NPC250481 |
High Similarity | 0.8879 | NPC263827 |
High Similarity | 0.8879 | NPC477073 |
High Similarity | 0.8879 | NPC31839 |
High Similarity | 0.8879 | NPC108748 |
High Similarity | 0.8879 | NPC235841 |
High Similarity | 0.8879 | NPC297208 |
High Similarity | 0.8879 | NPC164419 |
High Similarity | 0.8879 | NPC30397 |
High Similarity | 0.8879 | NPC211798 |
High Similarity | 0.8868 | NPC477070 |
High Similarity | 0.8868 | NPC477069 |
High Similarity | 0.8857 | NPC283849 |
High Similarity | 0.8857 | NPC473538 |
High Similarity | 0.8818 | NPC300419 |
High Similarity | 0.8796 | NPC109079 |
High Similarity | 0.8796 | NPC79718 |
High Similarity | 0.8796 | NPC80843 |
High Similarity | 0.8796 | NPC475504 |
High Similarity | 0.8796 | NPC139044 |
High Similarity | 0.8796 | NPC104071 |
High Similarity | 0.8796 | NPC475516 |
High Similarity | 0.8796 | NPC10320 |
High Similarity | 0.8796 | NPC292677 |
High Similarity | 0.8796 | NPC104400 |
High Similarity | 0.8796 | NPC469946 |
High Similarity | 0.8796 | NPC324875 |
High Similarity | 0.8796 | NPC276093 |
High Similarity | 0.8796 | NPC257468 |
High Similarity | 0.8796 | NPC233003 |
High Similarity | 0.8796 | NPC101744 |
High Similarity | 0.8796 | NPC473373 |
High Similarity | 0.8796 | NPC1046 |
High Similarity | 0.8796 | NPC471383 |
High Similarity | 0.8796 | NPC102439 |
High Similarity | 0.8785 | NPC129340 |
High Similarity | 0.8785 | NPC242611 |
High Similarity | 0.8774 | NPC195708 |
High Similarity | 0.8762 | NPC475611 |
High Similarity | 0.8739 | NPC109588 |
High Similarity | 0.8739 | NPC18233 |
High Similarity | 0.8739 | NPC276758 |
High Similarity | 0.8727 | NPC471384 |
High Similarity | 0.8727 | NPC160415 |
High Similarity | 0.8727 | NPC291903 |
High Similarity | 0.8727 | NPC37134 |
High Similarity | 0.8727 | NPC58448 |
High Similarity | 0.8727 | NPC161674 |
High Similarity | 0.8716 | NPC46665 |
High Similarity | 0.8716 | NPC477074 |
High Similarity | 0.8716 | NPC174720 |
High Similarity | 0.8716 | NPC251309 |
High Similarity | 0.8716 | NPC251263 |
High Similarity | 0.8716 | NPC473826 |
High Similarity | 0.8716 | NPC114287 |
High Similarity | 0.8716 | NPC151543 |
High Similarity | 0.8716 | NPC309714 |
High Similarity | 0.8716 | NPC166422 |
High Similarity | 0.8716 | NPC219180 |
High Similarity | 0.8716 | NPC258885 |
High Similarity | 0.8716 | NPC133818 |
High Similarity | 0.8716 | NPC323341 |
High Similarity | 0.8716 | NPC475287 |
High Similarity | 0.8716 | NPC192600 |
High Similarity | 0.8716 | NPC475467 |
High Similarity | 0.8716 | NPC241909 |
High Similarity | 0.8716 | NPC295823 |
High Similarity | 0.8716 | NPC155410 |
High Similarity | 0.8716 | NPC124296 |
High Similarity | 0.8716 | NPC114304 |
High Similarity | 0.8692 | NPC265655 |
High Similarity | 0.8679 | NPC293512 |
High Similarity | 0.8661 | NPC473401 |
High Similarity | 0.8649 | NPC471547 |
High Similarity | 0.8649 | NPC473824 |
High Similarity | 0.8649 | NPC475119 |
High Similarity | 0.8649 | NPC68175 |
High Similarity | 0.8649 | NPC309433 |
High Similarity | 0.8649 | NPC136768 |
High Similarity | 0.8649 | NPC110633 |
High Similarity | 0.8649 | NPC473405 |
High Similarity | 0.8649 | NPC148417 |
High Similarity | 0.8636 | NPC475486 |
High Similarity | 0.8636 | NPC236638 |
High Similarity | 0.8636 | NPC79643 |
High Similarity | 0.8636 | NPC475160 |
High Similarity | 0.8636 | NPC67857 |
High Similarity | 0.8636 | NPC294453 |
High Similarity | 0.8636 | NPC475140 |
High Similarity | 0.8636 | NPC60557 |
High Similarity | 0.8636 | NPC102088 |
High Similarity | 0.8636 | NPC57484 |
High Similarity | 0.8636 | NPC123199 |
High Similarity | 0.8636 | NPC293330 |
High Similarity | 0.8636 | NPC70809 |
High Similarity | 0.8636 | NPC471385 |
High Similarity | 0.8636 | NPC164389 |
High Similarity | 0.8636 | NPC261506 |
High Similarity | 0.8636 | NPC298034 |
High Similarity | 0.8636 | NPC202828 |
High Similarity | 0.8636 | NPC224381 |
High Similarity | 0.8636 | NPC305981 |
High Similarity | 0.8636 | NPC76972 |
High Similarity | 0.8636 | NPC227551 |
High Similarity | 0.8636 | NPC41061 |
High Similarity | 0.8636 | NPC469782 |
High Similarity | 0.8636 | NPC65105 |
High Similarity | 0.8636 | NPC54636 |
High Similarity | 0.8636 | NPC4328 |
High Similarity | 0.8636 | NPC476068 |
High Similarity | 0.8636 | NPC309907 |
High Similarity | 0.8636 | NPC473882 |
High Similarity | 0.8636 | NPC161717 |
High Similarity | 0.8636 | NPC250247 |
High Similarity | 0.8636 | NPC100639 |
High Similarity | 0.8636 | NPC471550 |
High Similarity | 0.8636 | NPC43550 |
High Similarity | 0.8636 | NPC119592 |
High Similarity | 0.8636 | NPC204414 |
High Similarity | 0.8636 | NPC71065 |
Molecular Weight   | 692.41 |
ALogP   | 0.1575 |
MLogP   | 4.43 |
XLogP   | 4.653 |
HDA   | 11 |
HBD   | 5 |
Rotatable Bonds   | 23 |
TPSA   | 180.05 |
RO5 Violation   | 1 |