Drug Information

Drug ID:  NPD6939
Drug Name:  Olesoxime
Molecular Formula:  C27H45NO
Canonical SMILES:  ON=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCCC(C)C)C)C)C
Standard InCHI:  InChI=1S/C27H45NO/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28-29)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25,29H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
Standard InCHIKey:  QNTASHOAVRSLMD-GYKMGIIDSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD6939

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
Intermediate Similarity 0.7313 NPC123194
Intermediate Similarity 0.7246 NPC469769
Intermediate Similarity 0.7237 NPC21773
Intermediate Similarity 0.7101 NPC475696
Intermediate Similarity 0.7101 NPC474415
Intermediate Similarity 0.7101 NPC474528
Intermediate Similarity 0.7083 NPC474086
Intermediate Similarity 0.7059 NPC166458
Intermediate Similarity 0.7051 NPC476904
Intermediate Similarity 0.7013 NPC265789
Intermediate Similarity 0.7011 NPC249312
Remote Similarity 0.6988 NPC283277
Remote Similarity 0.6941 NPC152684
Remote Similarity 0.6933 NPC176107
Remote Similarity 0.6923 NPC17518
Remote Similarity 0.6923 NPC22765
Remote Similarity 0.6901 NPC474420
Remote Similarity 0.6901 NPC475716
Remote Similarity 0.6901 NPC474455
Remote Similarity 0.6901 NPC474454
Remote Similarity 0.6889 NPC243985
Remote Similarity 0.6889 NPC280710
Remote Similarity 0.6883 NPC475728
Remote Similarity 0.6875 NPC7214
Remote Similarity 0.6857 NPC474457
Remote Similarity 0.6842 NPC20610
Remote Similarity 0.6812 NPC469770
Remote Similarity 0.68 NPC92327
Remote Similarity 0.6765 NPC127944
Remote Similarity 0.6753 NPC182815
Remote Similarity 0.6753 NPC138409
Remote Similarity 0.6744 NPC24733
Remote Similarity 0.6742 NPC474964
Remote Similarity 0.6742 NPC477288
Remote Similarity 0.6667 NPC35734
Remote Similarity 0.6667 NPC282593
Remote Similarity 0.6667 NPC240650
Remote Similarity 0.6667 NPC476308
Remote Similarity 0.6667 NPC159577
Remote Similarity 0.6667 NPC476064
Remote Similarity 0.6623 NPC160209
Remote Similarity 0.6596 NPC140685
Remote Similarity 0.6588 NPC215474
Remote Similarity 0.6582 NPC470078
Remote Similarity 0.6582 NPC115023
Remote Similarity 0.6575 NPC311809
Remote Similarity 0.6571 NPC470893
Remote Similarity 0.6567 NPC200129
Remote Similarity 0.6548 NPC12035
Remote Similarity 0.6543 NPC136188
Remote Similarity 0.6543 NPC134847
Remote Similarity 0.6543 NPC162742
Remote Similarity 0.6543 NPC141071
Remote Similarity 0.6543 NPC22105
Remote Similarity 0.6543 NPC285893
Remote Similarity 0.6543 NPC28657
Remote Similarity 0.6543 NPC304309
Remote Similarity 0.6543 NPC257347
Remote Similarity 0.6543 NPC125828
Remote Similarity 0.6543 NPC288035
Remote Similarity 0.6543 NPC230301
Remote Similarity 0.6543 NPC471723
Remote Similarity 0.6538 NPC184919
Remote Similarity 0.6515 NPC124851
Remote Similarity 0.6512 NPC21667
Remote Similarity 0.65 NPC251705
Remote Similarity 0.65 NPC303613
Remote Similarity 0.65 NPC474228
Remote Similarity 0.6495 NPC474583
Remote Similarity 0.6489 NPC167419
Remote Similarity 0.6471 NPC329782
Remote Similarity 0.6471 NPC118329
Remote Similarity 0.6471 NPC152039
Remote Similarity 0.6471 NPC257962
Remote Similarity 0.6463 NPC240604
Remote Similarity 0.6463 NPC244488
Remote Similarity 0.6463 NPC189883
Remote Similarity 0.6463 NPC113733
Remote Similarity 0.6463 NPC129165
Remote Similarity 0.6463 NPC247325
Remote Similarity 0.6463 NPC300324
Remote Similarity 0.6463 NPC107059
Remote Similarity 0.6463 NPC134330
Remote Similarity 0.6463 NPC321016
Remote Similarity 0.6463 NPC321381
Remote Similarity 0.6462 NPC49088
Remote Similarity 0.6462 NPC86683
Remote Similarity 0.6456 NPC214770
Remote Similarity 0.6456 NPC307176
Remote Similarity 0.6456 NPC477856
Remote Similarity 0.6438 NPC472827
Remote Similarity 0.6395 NPC472312
Remote Similarity 0.6386 NPC318495
Remote Similarity 0.6386 NPC198968
Remote Similarity 0.6386 NPC155986
Remote Similarity 0.6386 NPC34019
Remote Similarity 0.6383 NPC247220
Remote Similarity 0.6375 NPC234707
Remote Similarity 0.6375 NPC476329
Remote Similarity 0.6364 NPC75810
Remote Similarity 0.6364 NPC176171
Remote Similarity 0.6364 NPC476039
Remote Similarity 0.6364 NPC323005
Remote Similarity 0.6364 NPC222366
Remote Similarity 0.6364 NPC323445
Remote Similarity 0.6364 NPC286669
Remote Similarity 0.6351 NPC317778
Remote Similarity 0.6341 NPC471468
Remote Similarity 0.6341 NPC293803
Remote Similarity 0.6329 NPC472831
Remote Similarity 0.6329 NPC139397
Remote Similarity 0.6327 NPC45365
Remote Similarity 0.6327 NPC293299
Remote Similarity 0.6322 NPC171639
Remote Similarity 0.6311 NPC56796
Remote Similarity 0.631 NPC307965
Remote Similarity 0.631 NPC477522
Remote Similarity 0.631 NPC82635
Remote Similarity 0.631 NPC87604
Remote Similarity 0.631 NPC18603
Remote Similarity 0.631 NPC473943
Remote Similarity 0.631 NPC474216
Remote Similarity 0.631 NPC477514
Remote Similarity 0.631 NPC76931
Remote Similarity 0.63 NPC25340
Remote Similarity 0.6296 NPC470044
Remote Similarity 0.6296 NPC470045
Remote Similarity 0.6296 NPC474140
Remote Similarity 0.6286 NPC474416
Remote Similarity 0.6282 NPC197805
Remote Similarity 0.6279 NPC474122
Remote Similarity 0.6267 NPC219621
Remote Similarity 0.6265 NPC46160
Remote Similarity 0.6265 NPC69408
Remote Similarity 0.6265 NPC470362
Remote Similarity 0.6265 NPC474463
Remote Similarity 0.6265 NPC237460
Remote Similarity 0.6265 NPC202642
Remote Similarity 0.625 NPC265782
Remote Similarity 0.625 NPC2634
Remote Similarity 0.625 NPC260040
Remote Similarity 0.625 NPC40574
Remote Similarity 0.625 NPC251929
Remote Similarity 0.6235 NPC47982
Remote Similarity 0.6235 NPC84694
Remote Similarity 0.6235 NPC209430
Remote Similarity 0.6235 NPC28862
Remote Similarity 0.6235 NPC328714
Remote Similarity 0.6235 NPC1319
Remote Similarity 0.6235 NPC109546
Remote Similarity 0.6235 NPC143182
Remote Similarity 0.6235 NPC211322
Remote Similarity 0.6235 NPC81306
Remote Similarity 0.6235 NPC30986
Remote Similarity 0.6224 NPC50815
Remote Similarity 0.6224 NPC152718
Remote Similarity 0.6224 NPC471083
Remote Similarity 0.622 NPC255021
Remote Similarity 0.622 NPC309852
Remote Similarity 0.6216 NPC309825
Remote Similarity 0.6207 NPC224072
Remote Similarity 0.6207 NPC477583
Remote Similarity 0.619 NPC214570
Remote Similarity 0.619 NPC91665
Remote Similarity 0.6184 NPC145715
Remote Similarity 0.6173 NPC305501
Remote Similarity 0.6173 NPC54123
Remote Similarity 0.6164 NPC470369
Remote Similarity 0.6164 NPC470370
Remote Similarity 0.6163 NPC26117
Remote Similarity 0.6163 NPC241290
Remote Similarity 0.6163 NPC209944
Remote Similarity 0.6163 NPC164840
Remote Similarity 0.6163 NPC236112
Remote Similarity 0.6163 NPC234193
Remote Similarity 0.6154 NPC192529
Remote Similarity 0.6154 NPC324405
Remote Similarity 0.6154 NPC37792
Remote Similarity 0.6145 NPC322353
Remote Similarity 0.6145 NPC121744
Remote Similarity 0.6145 NPC118508
Remote Similarity 0.6136 NPC246956
Remote Similarity 0.6125 NPC269877
Remote Similarity 0.6125 NPC167272
Remote Similarity 0.6118 NPC186191
Remote Similarity 0.6118 NPC85346
Remote Similarity 0.6118 NPC138621
Remote Similarity 0.6118 NPC275910
Remote Similarity 0.6118 NPC470052
Remote Similarity 0.6118 NPC302041
Remote Similarity 0.6118 NPC105197
Remote Similarity 0.6118 NPC65897
Remote Similarity 0.6118 NPC167037
Remote Similarity 0.6118 NPC205455
Remote Similarity 0.6118 NPC6978
Remote Similarity 0.6118 NPC475337
Remote Similarity 0.6118 NPC244385
Remote Similarity 0.6118 NPC285761
Remote Similarity 0.6104 NPC473959
Remote Similarity 0.6104 NPC469662

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  399.35
ALogP  2.2529
MLogP  4.21
XLogP  10.754
HDA  0
HBD  1
Rotatable Bonds  11
TPSA  32.59
RO5 Violation  1