Drug Information

Drug ID:  NPD7339
Drug Name:  
Molecular Formula:  C29H50O
Canonical SMILES:  CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C
Standard InCHI:  InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
Standard InCHIKey:  KZJWDPNRJALLNS-VJSFXXLFSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD7339

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.


  Similar Natural Products

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 1.0 NPC304309
High Similarity 1.0 NPC134847
High Similarity 1.0 NPC162742
High Similarity 1.0 NPC22105
High Similarity 1.0 NPC136188
High Similarity 1.0 NPC285893
High Similarity 1.0 NPC230301
High Similarity 1.0 NPC28657
High Similarity 1.0 NPC288035
High Similarity 0.9857 NPC107059
High Similarity 0.9857 NPC240604
High Similarity 0.9857 NPC113733
High Similarity 0.9857 NPC300324
High Similarity 0.9857 NPC321381
High Similarity 0.9857 NPC321016
High Similarity 0.9718 NPC34019
High Similarity 0.9718 NPC198968
High Similarity 0.9718 NPC318495
High Similarity 0.9718 NPC155986
High Similarity 0.9714 NPC257347
High Similarity 0.9714 NPC471723
High Similarity 0.9714 NPC141071
High Similarity 0.9583 NPC477522
High Similarity 0.9583 NPC18603
High Similarity 0.9583 NPC307965
High Similarity 0.9583 NPC76931
High Similarity 0.9583 NPC473943
High Similarity 0.9583 NPC474216
High Similarity 0.9583 NPC87604
High Similarity 0.9577 NPC134330
High Similarity 0.9577 NPC189883
High Similarity 0.9577 NPC129165
High Similarity 0.9452 NPC81306
High Similarity 0.9452 NPC109546
High Similarity 0.9452 NPC84694
High Similarity 0.9452 NPC328714
High Similarity 0.9452 NPC28862
High Similarity 0.9452 NPC47982
High Similarity 0.9452 NPC143182
High Similarity 0.9324 NPC209944
High Similarity 0.9324 NPC26117
High Similarity 0.9324 NPC234193
High Similarity 0.9324 NPC241290
High Similarity 0.9324 NPC164840
High Similarity 0.9315 NPC275910
High Similarity 0.9306 NPC202642
High Similarity 0.9306 NPC96319
High Similarity 0.9306 NPC244488
High Similarity 0.9306 NPC470362
High Similarity 0.9306 NPC237460
High Similarity 0.9306 NPC46160
High Similarity 0.9306 NPC247325
High Similarity 0.92 NPC264245
High Similarity 0.92 NPC474759
High Similarity 0.92 NPC47761
High Similarity 0.92 NPC7505
High Similarity 0.92 NPC474531
High Similarity 0.92 NPC474731
High Similarity 0.92 NPC23852
High Similarity 0.92 NPC474683
High Similarity 0.92 NPC474752
High Similarity 0.92 NPC82986
High Similarity 0.92 NPC470383
High Similarity 0.92 NPC209620
High Similarity 0.9189 NPC209430
High Similarity 0.9189 NPC1319
High Similarity 0.9189 NPC30986
High Similarity 0.9178 NPC214570
High Similarity 0.9167 NPC322353
High Similarity 0.9167 NPC118508
High Similarity 0.9167 NPC121744
High Similarity 0.9155 NPC471799
High Similarity 0.9155 NPC474140
High Similarity 0.913 NPC160209
High Similarity 0.913 NPC208999
High Similarity 0.9079 NPC5985
High Similarity 0.9079 NPC50964
High Similarity 0.9079 NPC101462
High Similarity 0.9079 NPC470614
High Similarity 0.9079 NPC189972
High Similarity 0.9079 NPC49964
High Similarity 0.9079 NPC1272
High Similarity 0.9067 NPC236112
High Similarity 0.9054 NPC477514
High Similarity 0.9054 NPC138621
High Similarity 0.9054 NPC205455
High Similarity 0.9054 NPC6978
High Similarity 0.9054 NPC85346
High Similarity 0.9054 NPC167037
High Similarity 0.9054 NPC186191
High Similarity 0.9054 NPC285761
High Similarity 0.9054 NPC302041
High Similarity 0.9054 NPC65897
High Similarity 0.9054 NPC244385
High Similarity 0.9041 NPC73875
High Similarity 0.9028 NPC471797
High Similarity 0.9028 NPC469534
High Similarity 0.9028 NPC469533
High Similarity 0.9028 NPC469593
High Similarity 0.8961 NPC317458
High Similarity 0.8961 NPC474634
High Similarity 0.8961 NPC475789
High Similarity 0.8933 NPC273410
High Similarity 0.8933 NPC80530
High Similarity 0.8904 NPC471468
High Similarity 0.8889 NPC182717
High Similarity 0.8889 NPC201373
High Similarity 0.8873 NPC145498
High Similarity 0.8873 NPC475728
High Similarity 0.8846 NPC185568
High Similarity 0.8846 NPC205845
High Similarity 0.8846 NPC221758
High Similarity 0.8846 NPC124172
High Similarity 0.8846 NPC33913
High Similarity 0.8846 NPC209802
High Similarity 0.8846 NPC59453
High Similarity 0.8846 NPC472265
High Similarity 0.8831 NPC248886
High Similarity 0.8831 NPC201852
High Similarity 0.8831 NPC470049
High Similarity 0.8831 NPC30166
High Similarity 0.8816 NPC322313
High Similarity 0.8816 NPC102253
High Similarity 0.8816 NPC236237
High Similarity 0.8816 NPC13554
High Similarity 0.88 NPC312328
High Similarity 0.88 NPC318136
High Similarity 0.8784 NPC106364
High Similarity 0.8767 NPC243342
High Similarity 0.8767 NPC477138
High Similarity 0.8767 NPC329090
High Similarity 0.8767 NPC27395
High Similarity 0.8767 NPC100334
High Similarity 0.875 NPC111234
High Similarity 0.875 NPC242001
High Similarity 0.8734 NPC274448
High Similarity 0.8734 NPC157257
High Similarity 0.8734 NPC474189
High Similarity 0.8734 NPC266511
High Similarity 0.8734 NPC474349
High Similarity 0.8732 NPC269877
High Similarity 0.8732 NPC167272
High Similarity 0.8714 NPC197805
High Similarity 0.8684 NPC472463
High Similarity 0.8667 NPC471798
High Similarity 0.8649 NPC66566
High Similarity 0.8649 NPC477923
High Similarity 0.8649 NPC328104
High Similarity 0.8649 NPC291503
High Similarity 0.8649 NPC319090
High Similarity 0.863 NPC195489
High Similarity 0.8625 NPC31564
High Similarity 0.8625 NPC6391
High Similarity 0.8625 NPC474778
High Similarity 0.8625 NPC145879
High Similarity 0.8625 NPC261266
High Similarity 0.8625 NPC474732
High Similarity 0.8625 NPC477604
High Similarity 0.8625 NPC293287
High Similarity 0.8625 NPC474970
High Similarity 0.8625 NPC155011
High Similarity 0.8625 NPC24277
High Similarity 0.8625 NPC51014
High Similarity 0.8625 NPC94462
High Similarity 0.8625 NPC152808
High Similarity 0.8625 NPC474733
High Similarity 0.8611 NPC45296
High Similarity 0.8611 NPC9161
High Similarity 0.8611 NPC49422
High Similarity 0.8608 NPC470077
High Similarity 0.8608 NPC478102
High Similarity 0.8608 NPC238485
High Similarity 0.8608 NPC474047
High Similarity 0.859 NPC20853
High Similarity 0.859 NPC87489
High Similarity 0.859 NPC296701
High Similarity 0.859 NPC151519
High Similarity 0.859 NPC218616
High Similarity 0.859 NPC202389
High Similarity 0.8571 NPC222366
High Similarity 0.8571 NPC286669
High Similarity 0.8571 NPC476039
High Similarity 0.8553 NPC167891
High Similarity 0.8553 NPC474989
High Similarity 0.8553 NPC83351
High Similarity 0.8553 NPC22955
High Similarity 0.8553 NPC470396
High Similarity 0.8553 NPC99168
High Similarity 0.8553 NPC475337
High Similarity 0.8551 NPC290367
High Similarity 0.8533 NPC120098
High Similarity 0.8533 NPC265328
High Similarity 0.8533 NPC315261
High Similarity 0.8533 NPC290598
High Similarity 0.8533 NPC274079
High Similarity 0.8533 NPC477925
High Similarity 0.8533 NPC122418
High Similarity 0.8533 NPC27765
High Similarity 0.8533 NPC30590
High Similarity 0.8519 NPC58063

Drug Structure

External Identifiers

TTD   DIB016573
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   222284
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  414.39
ALogP  1.3
MLogP  4.54
XLogP  11.595
HDA  1
HBD  1
Rotatable Bonds  13
TPSA  20.23
RO5 Violation  1