Drug Information

Drug ID:  NPD9532
Drug Name:  Carisbamate
Molecular Formula:  C9H10ClNO3
Canonical SMILES:  OC(=N)OC[C@H](c1ccccc1Cl)O
Standard InCHI:  InChI=1S/C9H10ClNO3/c10-7-4-2-1-3-6(7)8(12)5-14-9(11)13/h1-4,8,12H,5H2,(H2,11,13)/t8-/m1/s1
Standard InCHIKey:  OLBWFRRUHYQABZ-MRVPVSSYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9532

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 0.7576 NPC117180
Intermediate Similarity 0.75 NPC329319
Intermediate Similarity 0.75 NPC99394
Intermediate Similarity 0.75 NPC87299
Intermediate Similarity 0.75 NPC103326
Intermediate Similarity 0.7475 NPC309279
Intermediate Similarity 0.7353 NPC304538
Intermediate Similarity 0.7315 NPC20142
Intermediate Similarity 0.7315 NPC215351
Intermediate Similarity 0.7308 NPC211237
Intermediate Similarity 0.7217 NPC475465
Intermediate Similarity 0.7217 NPC472314
Intermediate Similarity 0.7172 NPC66655
Intermediate Similarity 0.7168 NPC160382
Intermediate Similarity 0.7117 NPC226096
Intermediate Similarity 0.7117 NPC210529
Intermediate Similarity 0.7117 NPC175852
Intermediate Similarity 0.7117 NPC164514
Intermediate Similarity 0.7117 NPC108606
Intermediate Similarity 0.7117 NPC160548
Intermediate Similarity 0.7117 NPC303611
Intermediate Similarity 0.7117 NPC290515
Intermediate Similarity 0.7105 NPC242913
Intermediate Similarity 0.7105 NPC171831
Intermediate Similarity 0.7105 NPC148060
Intermediate Similarity 0.7105 NPC280616
Intermediate Similarity 0.7087 NPC172984
Intermediate Similarity 0.7043 NPC472919
Intermediate Similarity 0.7043 NPC152384
Intermediate Similarity 0.7043 NPC37714
Intermediate Similarity 0.7027 NPC325499
Intermediate Similarity 0.7018 NPC82426
Intermediate Similarity 0.7018 NPC91820
Intermediate Similarity 0.7009 NPC1793
Intermediate Similarity 0.7 NPC120217
Remote Similarity 0.6983 NPC37115
Remote Similarity 0.6983 NPC136962
Remote Similarity 0.6972 NPC265521
Remote Similarity 0.6964 NPC262826
Remote Similarity 0.6957 NPC324786
Remote Similarity 0.693 NPC327226
Remote Similarity 0.6923 NPC146703
Remote Similarity 0.6909 NPC138117
Remote Similarity 0.6909 NPC325292
Remote Similarity 0.6893 NPC133050
Remote Similarity 0.6887 NPC93843
Remote Similarity 0.6881 NPC300017
Remote Similarity 0.6869 NPC108218
Remote Similarity 0.6864 NPC146096
Remote Similarity 0.686 NPC1986
Remote Similarity 0.686 NPC474544
Remote Similarity 0.6838 NPC472316
Remote Similarity 0.6838 NPC474376
Remote Similarity 0.6838 NPC472315
Remote Similarity 0.6838 NPC475203
Remote Similarity 0.6833 NPC185840
Remote Similarity 0.6827 NPC283012
Remote Similarity 0.6827 NPC475199
Remote Similarity 0.6814 NPC107619
Remote Similarity 0.681 NPC150254
Remote Similarity 0.681 NPC147000
Remote Similarity 0.681 NPC226778
Remote Similarity 0.681 NPC304761
Remote Similarity 0.6807 NPC276061
Remote Similarity 0.6807 NPC474148
Remote Similarity 0.6803 NPC157338
Remote Similarity 0.6796 NPC192623
Remote Similarity 0.6792 NPC99482
Remote Similarity 0.6786 NPC313650
Remote Similarity 0.6783 NPC154905
Remote Similarity 0.6783 NPC60373
Remote Similarity 0.678 NPC277788
Remote Similarity 0.6774 NPC266389
Remote Similarity 0.6774 NPC216605
Remote Similarity 0.6774 NPC122245
Remote Similarity 0.6759 NPC304760
Remote Similarity 0.675 NPC264784
Remote Similarity 0.675 NPC30563
Remote Similarity 0.6729 NPC474211
Remote Similarity 0.6727 NPC317645
Remote Similarity 0.6724 NPC291426
Remote Similarity 0.6721 NPC91452
Remote Similarity 0.6698 NPC168855
Remote Similarity 0.6697 NPC104216
Remote Similarity 0.6697 NPC199567
Remote Similarity 0.6696 NPC469481
Remote Similarity 0.6696 NPC214200
Remote Similarity 0.6696 NPC228400
Remote Similarity 0.6694 NPC234376
Remote Similarity 0.6694 NPC148055
Remote Similarity 0.6694 NPC158282
Remote Similarity 0.6667 NPC290566
Remote Similarity 0.6667 NPC198747
Remote Similarity 0.6667 NPC474073
Remote Similarity 0.6667 NPC47286
Remote Similarity 0.6667 NPC145638
Remote Similarity 0.6667 NPC208302
Remote Similarity 0.6667 NPC216122
Remote Similarity 0.6639 NPC265002
Remote Similarity 0.6639 NPC251306
Remote Similarity 0.6638 NPC110764
Remote Similarity 0.6637 NPC21959
Remote Similarity 0.6636 NPC474354
Remote Similarity 0.6635 NPC328178
Remote Similarity 0.6613 NPC244403
Remote Similarity 0.6612 NPC323007
Remote Similarity 0.6609 NPC51333
Remote Similarity 0.6609 NPC132078
Remote Similarity 0.6609 NPC216468
Remote Similarity 0.6609 NPC78119
Remote Similarity 0.6602 NPC224544
Remote Similarity 0.6583 NPC114741
Remote Similarity 0.6583 NPC182549
Remote Similarity 0.6577 NPC47950
Remote Similarity 0.6577 NPC472319
Remote Similarity 0.6577 NPC79917
Remote Similarity 0.6577 NPC312304
Remote Similarity 0.6577 NPC300478
Remote Similarity 0.656 NPC175771
Remote Similarity 0.6552 NPC294741
Remote Similarity 0.6552 NPC213730
Remote Similarity 0.6538 NPC475691
Remote Similarity 0.6538 NPC469894
Remote Similarity 0.6538 NPC212176
Remote Similarity 0.6535 NPC14950
Remote Similarity 0.6532 NPC313193
Remote Similarity 0.6529 NPC326187
Remote Similarity 0.6525 NPC315794
Remote Similarity 0.6525 NPC12278
Remote Similarity 0.6518 NPC128645
Remote Similarity 0.6514 NPC155393
Remote Similarity 0.6509 NPC73637
Remote Similarity 0.6509 NPC121478
Remote Similarity 0.6509 NPC106313
Remote Similarity 0.6504 NPC48525
Remote Similarity 0.65 NPC194034
Remote Similarity 0.6496 NPC7686
Remote Similarity 0.6496 NPC91461
Remote Similarity 0.6496 NPC40258
Remote Similarity 0.6496 NPC101025
Remote Similarity 0.6496 NPC471578
Remote Similarity 0.6491 NPC3371
Remote Similarity 0.6484 NPC282409
Remote Similarity 0.6484 NPC469702
Remote Similarity 0.6481 NPC58616
Remote Similarity 0.648 NPC210531
Remote Similarity 0.6476 NPC184030
Remote Similarity 0.6476 NPC164449
Remote Similarity 0.6471 NPC211551
Remote Similarity 0.6471 NPC233396
Remote Similarity 0.6471 NPC189371
Remote Similarity 0.6471 NPC154899
Remote Similarity 0.6466 NPC472318
Remote Similarity 0.6466 NPC128723
Remote Similarity 0.6466 NPC100870
Remote Similarity 0.6466 NPC131587
Remote Similarity 0.6466 NPC98911
Remote Similarity 0.6457 NPC15350
Remote Similarity 0.6455 NPC23167
Remote Similarity 0.6455 NPC407
Remote Similarity 0.6455 NPC307235
Remote Similarity 0.6452 NPC172525
Remote Similarity 0.6441 NPC469527
Remote Similarity 0.6435 NPC289201
Remote Similarity 0.6434 NPC469703
Remote Similarity 0.6434 NPC160854
Remote Similarity 0.6434 NPC469704
Remote Similarity 0.6434 NPC201402
Remote Similarity 0.6434 NPC476445
Remote Similarity 0.6434 NPC469548
Remote Similarity 0.6434 NPC476448
Remote Similarity 0.6423 NPC474314
Remote Similarity 0.6422 NPC175313
Remote Similarity 0.6417 NPC135464
Remote Similarity 0.6417 NPC92623
Remote Similarity 0.6415 NPC165212
Remote Similarity 0.641 NPC130103
Remote Similarity 0.641 NPC174911
Remote Similarity 0.6404 NPC58674
Remote Similarity 0.6396 NPC25493
Remote Similarity 0.6396 NPC27974
Remote Similarity 0.6396 NPC113460
Remote Similarity 0.6393 NPC292758
Remote Similarity 0.6393 NPC55617
Remote Similarity 0.6393 NPC473524
Remote Similarity 0.6393 NPC65855
Remote Similarity 0.6393 NPC62258
Remote Similarity 0.6391 NPC8058
Remote Similarity 0.6387 NPC249067
Remote Similarity 0.6385 NPC42644
Remote Similarity 0.6385 NPC469686
Remote Similarity 0.6385 NPC55608
Remote Similarity 0.6385 NPC266045
Remote Similarity 0.6381 NPC170484
Remote Similarity 0.6379 NPC315921
Remote Similarity 0.6379 NPC475954
Remote Similarity 0.6379 NPC109955
Remote Similarity 0.6372 NPC45040
Remote Similarity 0.6364 NPC197783
Remote Similarity 0.6364 NPC89377

Drug Structure

External Identifiers

TTD   DCL000739
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   6918474
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  215.03
ALogP  0.7144
MLogP  1.9
XLogP  2.407
HDA  4
HBD  3
Rotatable Bonds  7
TPSA  73.54
RO5 Violation  0