Drug Information

Drug ID:  NPD1671
Drug Name:  
Molecular Formula:  C15H17NOS
Canonical SMILES:  CN(Cc1ccccc1Sc1ccc(cc1)O)C
Standard InCHI:  InChI=1S/C15H17NOS/c1-16(2)11-12-5-3-4-6-15(12)18-14-9-7-13(17)8-10-14/h3-10,17H,11H2,1-2H3
Standard InCHIKey:  BJOPZPFZQQKACQ-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1671

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 0.7759 NPC155847
Intermediate Similarity 0.7759 NPC289381
Intermediate Similarity 0.7373 NPC275104
Intermediate Similarity 0.7317 NPC24101
Intermediate Similarity 0.7317 NPC96224
Intermediate Similarity 0.7311 NPC29601
Intermediate Similarity 0.719 NPC178902
Intermediate Similarity 0.7177 NPC153690
Intermediate Similarity 0.7154 NPC231705
Intermediate Similarity 0.7111 NPC318965
Intermediate Similarity 0.7097 NPC142297
Intermediate Similarity 0.7083 NPC125732
Remote Similarity 0.6984 NPC258056
Remote Similarity 0.6963 NPC307020
Remote Similarity 0.6934 NPC218323
Remote Similarity 0.6929 NPC474149
Remote Similarity 0.6911 NPC68055
Remote Similarity 0.687 NPC82963
Remote Similarity 0.6859 NPC94292
Remote Similarity 0.685 NPC172046
Remote Similarity 0.6846 NPC118202
Remote Similarity 0.6833 NPC26244
Remote Similarity 0.6818 NPC311737
Remote Similarity 0.6818 NPC38458
Remote Similarity 0.6818 NPC283468
Remote Similarity 0.681 NPC184169
Remote Similarity 0.6794 NPC10286
Remote Similarity 0.6794 NPC213
Remote Similarity 0.6791 NPC321133
Remote Similarity 0.6783 NPC248817
Remote Similarity 0.6777 NPC473388
Remote Similarity 0.6767 NPC122009
Remote Similarity 0.6765 NPC471314
Remote Similarity 0.6765 NPC471315
Remote Similarity 0.6763 NPC268763
Remote Similarity 0.6763 NPC66177
Remote Similarity 0.6763 NPC8305
Remote Similarity 0.6752 NPC25493
Remote Similarity 0.6752 NPC113460
Remote Similarity 0.675 NPC76938
Remote Similarity 0.675 NPC151715
Remote Similarity 0.6748 NPC214200
Remote Similarity 0.6748 NPC228400
Remote Similarity 0.6741 NPC86966
Remote Similarity 0.6724 NPC197783
Remote Similarity 0.6723 NPC45040
Remote Similarity 0.6721 NPC225464
Remote Similarity 0.6716 NPC268572
Remote Similarity 0.6716 NPC43275
Remote Similarity 0.6696 NPC124436
Remote Similarity 0.6696 NPC265146
Remote Similarity 0.6695 NPC177420
Remote Similarity 0.6695 NPC242240
Remote Similarity 0.6695 NPC98772
Remote Similarity 0.6695 NPC280347
Remote Similarity 0.6695 NPC318325
Remote Similarity 0.6695 NPC123273
Remote Similarity 0.6694 NPC32714
Remote Similarity 0.6692 NPC137096
Remote Similarity 0.6667 NPC37302
Remote Similarity 0.6667 NPC317254
Remote Similarity 0.6667 NPC307235
Remote Similarity 0.6667 NPC112823
Remote Similarity 0.6667 NPC89769
Remote Similarity 0.6667 NPC120251
Remote Similarity 0.6667 NPC271440
Remote Similarity 0.6667 NPC407
Remote Similarity 0.6667 NPC126859
Remote Similarity 0.6667 NPC23167
Remote Similarity 0.6667 NPC259665
Remote Similarity 0.6667 NPC92730
Remote Similarity 0.6646 NPC130921
Remote Similarity 0.6643 NPC172403
Remote Similarity 0.6642 NPC85276
Remote Similarity 0.6639 NPC132271
Remote Similarity 0.6639 NPC82664
Remote Similarity 0.6639 NPC216520
Remote Similarity 0.6639 NPC292730
Remote Similarity 0.6639 NPC55561
Remote Similarity 0.6638 NPC286904
Remote Similarity 0.6638 NPC175313
Remote Similarity 0.6638 NPC150837
Remote Similarity 0.662 NPC257390
Remote Similarity 0.6618 NPC324702
Remote Similarity 0.6612 NPC128062
Remote Similarity 0.661 NPC27974
Remote Similarity 0.6596 NPC124802
Remote Similarity 0.6591 NPC142599
Remote Similarity 0.6589 NPC290566
Remote Similarity 0.6589 NPC65855
Remote Similarity 0.6589 NPC292758
Remote Similarity 0.6589 NPC145638
Remote Similarity 0.6585 NPC201967
Remote Similarity 0.6583 NPC270547
Remote Similarity 0.6581 NPC155393
Remote Similarity 0.6564 NPC177023
Remote Similarity 0.6557 NPC274678
Remote Similarity 0.6555 NPC258219
Remote Similarity 0.6544 NPC53596
Remote Similarity 0.6544 NPC17388
Remote Similarity 0.6544 NPC471308
Remote Similarity 0.6544 NPC289330
Remote Similarity 0.6544 NPC263835
Remote Similarity 0.6544 NPC160120
Remote Similarity 0.6532 NPC132078
Remote Similarity 0.6532 NPC216468
Remote Similarity 0.6532 NPC51333
Remote Similarity 0.6532 NPC130193
Remote Similarity 0.6532 NPC78119
Remote Similarity 0.6531 NPC211468
Remote Similarity 0.6531 NPC170170
Remote Similarity 0.6531 NPC219233
Remote Similarity 0.6529 NPC94139
Remote Similarity 0.6529 NPC210497
Remote Similarity 0.6529 NPC3358
Remote Similarity 0.6529 NPC306884
Remote Similarity 0.6529 NPC162314
Remote Similarity 0.6529 NPC147284
Remote Similarity 0.65 NPC192
Remote Similarity 0.65 NPC151764
Remote Similarity 0.6497 NPC131440
Remote Similarity 0.6496 NPC284078
Remote Similarity 0.649 NPC185838
Remote Similarity 0.6486 NPC323123
Remote Similarity 0.6483 NPC473360
Remote Similarity 0.648 NPC294741
Remote Similarity 0.648 NPC213730
Remote Similarity 0.6475 NPC152415
Remote Similarity 0.6475 NPC316301
Remote Similarity 0.6475 NPC27323
Remote Similarity 0.6471 NPC104216
Remote Similarity 0.6471 NPC283760
Remote Similarity 0.6471 NPC19680
Remote Similarity 0.6463 NPC193528
Remote Similarity 0.6458 NPC300020
Remote Similarity 0.6458 NPC33338
Remote Similarity 0.6458 NPC302171
Remote Similarity 0.6454 NPC305717
Remote Similarity 0.6452 NPC291789
Remote Similarity 0.6452 NPC32674
Remote Similarity 0.6452 NPC107619
Remote Similarity 0.6452 NPC156313
Remote Similarity 0.6446 NPC306074
Remote Similarity 0.6446 NPC231150
Remote Similarity 0.6446 NPC304541
Remote Similarity 0.6446 NPC204210
Remote Similarity 0.6446 NPC155908
Remote Similarity 0.6439 NPC146422
Remote Similarity 0.6429 NPC95733
Remote Similarity 0.6429 NPC327226
Remote Similarity 0.6429 NPC171372
Remote Similarity 0.6429 NPC7686
Remote Similarity 0.6429 NPC51015
Remote Similarity 0.6429 NPC91461
Remote Similarity 0.6429 NPC62101
Remote Similarity 0.6429 NPC40258
Remote Similarity 0.6423 NPC41801
Remote Similarity 0.6418 NPC303370
Remote Similarity 0.6418 NPC222982
Remote Similarity 0.6414 NPC266425
Remote Similarity 0.6408 NPC251571
Remote Similarity 0.6408 NPC17374
Remote Similarity 0.6406 NPC138942
Remote Similarity 0.6406 NPC233396
Remote Similarity 0.6406 NPC154899
Remote Similarity 0.6405 NPC179825
Remote Similarity 0.6405 NPC191376
Remote Similarity 0.6405 NPC321505
Remote Similarity 0.6405 NPC476151
Remote Similarity 0.6395 NPC131204
Remote Similarity 0.6395 NPC301050
Remote Similarity 0.6393 NPC325292
Remote Similarity 0.6393 NPC138117
Remote Similarity 0.6393 NPC55903
Remote Similarity 0.6393 NPC181709
Remote Similarity 0.6391 NPC59387
Remote Similarity 0.6386 NPC20395
Remote Similarity 0.6383 NPC29477
Remote Similarity 0.6378 NPC68269
Remote Similarity 0.6378 NPC168829
Remote Similarity 0.6377 NPC56634
Remote Similarity 0.6377 NPC83279
Remote Similarity 0.6377 NPC318357
Remote Similarity 0.6371 NPC33168
Remote Similarity 0.6364 NPC476571
Remote Similarity 0.6364 NPC296858
Remote Similarity 0.6364 NPC135538
Remote Similarity 0.6364 NPC155838
Remote Similarity 0.6364 NPC24233
Remote Similarity 0.6364 NPC147390
Remote Similarity 0.6364 NPC471321
Remote Similarity 0.6364 NPC428
Remote Similarity 0.6364 NPC471306
Remote Similarity 0.6364 NPC300017
Remote Similarity 0.6364 NPC246587
Remote Similarity 0.6357 NPC113457
Remote Similarity 0.6357 NPC135464
Remote Similarity 0.6357 NPC211218
Remote Similarity 0.6357 NPC217277
Remote Similarity 0.6357 NPC92623

Drug Structure

External Identifiers

TTD   DIB008396
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   6449755
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  259.10
ALogP  0.3597
MLogP  2.78
XLogP  3.805
HDA  1
HBD  1
Rotatable Bonds  7
TPSA  48.77
RO5 Violation  0