Drug Information

Drug ID:  NPD5707
Drug Name:  Norgestimate
Molecular Formula:  C23H31NO3
Canonical SMILES:  O/N=C/1CC[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C#C)OC(=O)C)CC
Standard InCHI:  InChI=1S/C23H31NO3/c1-4-22-12-10-19-18-9-7-17(24-26)14-16(18)6-8-20(19)21(22)11-13-23(22,5-2)27-15(3)25/h2,14,18-21,26H,4,6-13H2,1,3H3/b24-17+/t18-,19+,20+,21-,22-,23-/m0/s1
Standard InCHIKey:  KIQQMECNKUGGKA-NMYWJIRASA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD5707

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 0.7273 NPC474964
Intermediate Similarity 0.7273 NPC477288
Intermediate Similarity 0.7204 NPC44083
Intermediate Similarity 0.7204 NPC153987
Intermediate Similarity 0.72 NPC476064
Intermediate Similarity 0.7083 NPC477852
Intermediate Similarity 0.7 NPC305039
Remote Similarity 0.6944 NPC119329
Remote Similarity 0.6939 NPC323765
Remote Similarity 0.69 NPC28227
Remote Similarity 0.69 NPC470612
Remote Similarity 0.69 NPC470613
Remote Similarity 0.6875 NPC150506
Remote Similarity 0.6875 NPC147066
Remote Similarity 0.6869 NPC474970
Remote Similarity 0.6869 NPC195640
Remote Similarity 0.6869 NPC286153
Remote Similarity 0.6832 NPC473647
Remote Similarity 0.6832 NPC215029
Remote Similarity 0.6832 NPC476733
Remote Similarity 0.6804 NPC193347
Remote Similarity 0.6768 NPC470223
Remote Similarity 0.6762 NPC322063
Remote Similarity 0.6735 NPC139206
Remote Similarity 0.6731 NPC472224
Remote Similarity 0.6731 NPC472223
Remote Similarity 0.6703 NPC475728
Remote Similarity 0.6701 NPC201912
Remote Similarity 0.6701 NPC38350
Remote Similarity 0.67 NPC264127
Remote Similarity 0.6699 NPC177641
Remote Similarity 0.6699 NPC154101
Remote Similarity 0.6698 NPC240650
Remote Similarity 0.6667 NPC477371
Remote Similarity 0.6667 NPC474570
Remote Similarity 0.6667 NPC144258
Remote Similarity 0.6667 NPC469599
Remote Similarity 0.6636 NPC181147
Remote Similarity 0.6635 NPC473678
Remote Similarity 0.6634 NPC478104
Remote Similarity 0.6634 NPC136948
Remote Similarity 0.6633 NPC320514
Remote Similarity 0.6633 NPC260956
Remote Similarity 0.6604 NPC304899
Remote Similarity 0.6604 NPC253115
Remote Similarity 0.6602 NPC471896
Remote Similarity 0.66 NPC474349
Remote Similarity 0.66 NPC29447
Remote Similarity 0.66 NPC474189
Remote Similarity 0.6598 NPC206735
Remote Similarity 0.6593 NPC22301
Remote Similarity 0.6574 NPC239768
Remote Similarity 0.6574 NPC128698
Remote Similarity 0.6571 NPC280710
Remote Similarity 0.6571 NPC243985
Remote Similarity 0.6571 NPC477290
Remote Similarity 0.6569 NPC97884
Remote Similarity 0.6569 NPC472220
Remote Similarity 0.6566 NPC83569
Remote Similarity 0.6566 NPC473592
Remote Similarity 0.6566 NPC477373
Remote Similarity 0.6566 NPC69279
Remote Similarity 0.6562 NPC477514
Remote Similarity 0.6562 NPC477522
Remote Similarity 0.6542 NPC231751
Remote Similarity 0.6542 NPC475032
Remote Similarity 0.6542 NPC107243
Remote Similarity 0.6542 NPC475894
Remote Similarity 0.6542 NPC57416
Remote Similarity 0.6542 NPC475033
Remote Similarity 0.6538 NPC234335
Remote Similarity 0.6535 NPC155011
Remote Similarity 0.6531 NPC6434
Remote Similarity 0.6531 NPC476101
Remote Similarity 0.6531 NPC477372
Remote Similarity 0.6526 NPC96319
Remote Similarity 0.6517 NPC474768
Remote Similarity 0.6505 NPC262043
Remote Similarity 0.6505 NPC177141
Remote Similarity 0.65 NPC156981
Remote Similarity 0.65 NPC82902
Remote Similarity 0.65 NPC100391
Remote Similarity 0.65 NPC472480
Remote Similarity 0.6495 NPC100906
Remote Similarity 0.6495 NPC1319
Remote Similarity 0.6495 NPC231431
Remote Similarity 0.6495 NPC215843
Remote Similarity 0.6495 NPC158846
Remote Similarity 0.6481 NPC153792
Remote Similarity 0.6481 NPC271387
Remote Similarity 0.6476 NPC470224
Remote Similarity 0.6476 NPC38232
Remote Similarity 0.6476 NPC470376
Remote Similarity 0.6476 NPC470375
Remote Similarity 0.6471 NPC96496
Remote Similarity 0.6471 NPC142361
Remote Similarity 0.6471 NPC474684
Remote Similarity 0.6471 NPC167877
Remote Similarity 0.6471 NPC128644
Remote Similarity 0.6465 NPC133391
Remote Similarity 0.6465 NPC189972
Remote Similarity 0.6465 NPC240302
Remote Similarity 0.6465 NPC100297
Remote Similarity 0.6458 NPC472300
Remote Similarity 0.6458 NPC155986
Remote Similarity 0.6458 NPC66105
Remote Similarity 0.6458 NPC318495
Remote Similarity 0.6458 NPC283619
Remote Similarity 0.6458 NPC198968
Remote Similarity 0.6455 NPC473928
Remote Similarity 0.6455 NPC22388
Remote Similarity 0.6449 NPC475178
Remote Similarity 0.6442 NPC175628
Remote Similarity 0.6442 NPC111585
Remote Similarity 0.6442 NPC273199
Remote Similarity 0.6442 NPC148414
Remote Similarity 0.6436 NPC474218
Remote Similarity 0.6436 NPC269638
Remote Similarity 0.6429 NPC37038
Remote Similarity 0.6429 NPC26117
Remote Similarity 0.6422 NPC208358
Remote Similarity 0.6422 NPC472826
Remote Similarity 0.6421 NPC279666
Remote Similarity 0.6421 NPC192540
Remote Similarity 0.6408 NPC294480
Remote Similarity 0.6408 NPC320665
Remote Similarity 0.64 NPC167103
Remote Similarity 0.6396 NPC474583
Remote Similarity 0.6392 NPC321514
Remote Similarity 0.6389 NPC210337
Remote Similarity 0.6389 NPC4834
Remote Similarity 0.6381 NPC26888
Remote Similarity 0.6381 NPC150383
Remote Similarity 0.6381 NPC218301
Remote Similarity 0.6379 NPC80834
Remote Similarity 0.6379 NPC469968
Remote Similarity 0.6373 NPC469994
Remote Similarity 0.6364 NPC222875
Remote Similarity 0.6364 NPC108476
Remote Similarity 0.6364 NPC295110
Remote Similarity 0.6364 NPC142163
Remote Similarity 0.6364 NPC327002
Remote Similarity 0.6364 NPC474327
Remote Similarity 0.6364 NPC195334
Remote Similarity 0.6364 NPC155974
Remote Similarity 0.6364 NPC290495
Remote Similarity 0.6364 NPC247701
Remote Similarity 0.6364 NPC142244
Remote Similarity 0.6364 NPC268829
Remote Similarity 0.6364 NPC25177
Remote Similarity 0.6364 NPC232625
Remote Similarity 0.6364 NPC70927
Remote Similarity 0.6355 NPC184848
Remote Similarity 0.6355 NPC171395
Remote Similarity 0.6355 NPC69548
Remote Similarity 0.6355 NPC279974
Remote Similarity 0.6354 NPC107059
Remote Similarity 0.6354 NPC69143
Remote Similarity 0.6354 NPC474463
Remote Similarity 0.6354 NPC321381
Remote Similarity 0.6354 NPC321016
Remote Similarity 0.6346 NPC474889
Remote Similarity 0.6346 NPC76879
Remote Similarity 0.6346 NPC474704
Remote Similarity 0.6346 NPC268406
Remote Similarity 0.6346 NPC472240
Remote Similarity 0.6346 NPC54689
Remote Similarity 0.6346 NPC326627
Remote Similarity 0.6346 NPC262858
Remote Similarity 0.6346 NPC475921
Remote Similarity 0.6346 NPC2983
Remote Similarity 0.6346 NPC26959
Remote Similarity 0.6346 NPC146554
Remote Similarity 0.6346 NPC310010
Remote Similarity 0.6339 NPC472822
Remote Similarity 0.6339 NPC200861
Remote Similarity 0.6339 NPC472228
Remote Similarity 0.6339 NPC472227
Remote Similarity 0.6337 NPC329043
Remote Similarity 0.6337 NPC165064
Remote Similarity 0.6337 NPC474047
Remote Similarity 0.6337 NPC477289
Remote Similarity 0.6337 NPC161423
Remote Similarity 0.6337 NPC227064
Remote Similarity 0.6337 NPC58841
Remote Similarity 0.6337 NPC321187
Remote Similarity 0.633 NPC477854
Remote Similarity 0.633 NPC477813
Remote Similarity 0.6327 NPC47808
Remote Similarity 0.6327 NPC242767
Remote Similarity 0.6327 NPC305835
Remote Similarity 0.6327 NPC118987
Remote Similarity 0.6327 NPC328714
Remote Similarity 0.6321 NPC66429
Remote Similarity 0.6321 NPC152897
Remote Similarity 0.6321 NPC243866
Remote Similarity 0.6316 NPC251970
Remote Similarity 0.6316 NPC166797
Remote Similarity 0.6316 NPC475517
Remote Similarity 0.6316 NPC241854

Drug Structure

External Identifiers

TTD   DAP001210
DrugBank   DB00957
ChEMBL   CHEMBL1200934
IUPHAR/BPS   7091
PharmaGKB   PA164744346
KEGG Drug   D05209
PubChem CID   6540478
ChEBI   50815
CAS Number  35189-28-7

Drug Properties

Molecular Weight  369.23
ALogP  1.0363
MLogP  3.55
XLogP  4.796
HDA  2
HBD  1
Rotatable Bonds  6
TPSA  58.89
RO5 Violation  0