Drug Information

Drug ID:  NPD157
Drug Name:  
Molecular Formula:  C10H10N2O2S
Canonical SMILES:  O=c1sn(c(=O)n1Cc1ccccc1)C
Standard InCHI:  InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
Standard InCHIKey:  JDSJDASOXWCHPN-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD157

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 0.7849 NPC474088
Intermediate Similarity 0.7753 NPC98976
Intermediate Similarity 0.7667 NPC271642
Intermediate Similarity 0.7429 NPC329375
Intermediate Similarity 0.7383 NPC143516
Intermediate Similarity 0.7327 NPC473661
Intermediate Similarity 0.7315 NPC474973
Intermediate Similarity 0.7315 NPC474804
Intermediate Similarity 0.7315 NPC130898
Intermediate Similarity 0.7312 NPC12857
Intermediate Similarity 0.7297 NPC475013
Intermediate Similarity 0.7255 NPC71140
Intermediate Similarity 0.7255 NPC474974
Intermediate Similarity 0.7182 NPC473676
Intermediate Similarity 0.7168 NPC476048
Intermediate Similarity 0.7158 NPC475573
Intermediate Similarity 0.7158 NPC475289
Intermediate Similarity 0.7113 NPC104070
Intermediate Similarity 0.7091 NPC55529
Intermediate Similarity 0.7065 NPC299134
Intermediate Similarity 0.7 NPC17497
Intermediate Similarity 0.7 NPC305602
Remote Similarity 0.6923 NPC322040
Remote Similarity 0.6907 NPC231986
Remote Similarity 0.6887 NPC472258
Remote Similarity 0.6857 NPC256452
Remote Similarity 0.6842 NPC181390
Remote Similarity 0.6832 NPC53492
Remote Similarity 0.6792 NPC471320
Remote Similarity 0.6792 NPC471319
Remote Similarity 0.6774 NPC244738
Remote Similarity 0.6739 NPC219246
Remote Similarity 0.6737 NPC139658
Remote Similarity 0.67 NPC169016
Remote Similarity 0.6698 NPC108339
Remote Similarity 0.6667 NPC469974
Remote Similarity 0.6667 NPC98269
Remote Similarity 0.6667 NPC325662
Remote Similarity 0.6604 NPC469330
Remote Similarity 0.6571 NPC470926
Remote Similarity 0.6569 NPC258046
Remote Similarity 0.6505 NPC473031
Remote Similarity 0.646 NPC473418
Remote Similarity 0.646 NPC476198
Remote Similarity 0.641 NPC269340
Remote Similarity 0.6404 NPC471447
Remote Similarity 0.6404 NPC45033
Remote Similarity 0.6391 NPC469560
Remote Similarity 0.6383 NPC229235
Remote Similarity 0.6381 NPC470877
Remote Similarity 0.6364 NPC267508
Remote Similarity 0.6354 NPC122327
Remote Similarity 0.6354 NPC112609
Remote Similarity 0.6354 NPC113000
Remote Similarity 0.6321 NPC121872
Remote Similarity 0.6321 NPC141139
Remote Similarity 0.6321 NPC471307
Remote Similarity 0.6321 NPC78041
Remote Similarity 0.6321 NPC209764
Remote Similarity 0.6321 NPC159178
Remote Similarity 0.6321 NPC74936
Remote Similarity 0.6293 NPC164802
Remote Similarity 0.6289 NPC276699
Remote Similarity 0.6275 NPC119677
Remote Similarity 0.6241 NPC471123
Remote Similarity 0.6216 NPC322598
Remote Similarity 0.6195 NPC291610
Remote Similarity 0.619 NPC471638
Remote Similarity 0.6182 NPC317400
Remote Similarity 0.6174 NPC474695
Remote Similarity 0.6162 NPC290638
Remote Similarity 0.6161 NPC75496
Remote Similarity 0.6148 NPC315276
Remote Similarity 0.6148 NPC285926
Remote Similarity 0.6148 NPC14672
Remote Similarity 0.6147 NPC471309
Remote Similarity 0.6111 NPC245259
Remote Similarity 0.6091 NPC329430
Remote Similarity 0.608 NPC316582
Remote Similarity 0.608 NPC476990
Remote Similarity 0.608 NPC200964
Remote Similarity 0.6066 NPC101139
Remote Similarity 0.6053 NPC239854
Remote Similarity 0.6048 NPC228515
Remote Similarity 0.6033 NPC35850
Remote Similarity 0.6033 NPC276949
Remote Similarity 0.6032 NPC202521
Remote Similarity 0.6032 NPC314192
Remote Similarity 0.6031 NPC187231
Remote Similarity 0.6019 NPC78154
Remote Similarity 0.6 NPC202613
Remote Similarity 0.6 NPC471317
Remote Similarity 0.6 NPC7067
Remote Similarity 0.5984 NPC252878
Remote Similarity 0.5984 NPC33742
Remote Similarity 0.5984 NPC246904
Remote Similarity 0.5981 NPC297532
Remote Similarity 0.5981 NPC12429
Remote Similarity 0.5969 NPC79698
Remote Similarity 0.5963 NPC226438
Remote Similarity 0.5955 NPC269586
Remote Similarity 0.5948 NPC275467
Remote Similarity 0.5946 NPC303045
Remote Similarity 0.5946 NPC161972
Remote Similarity 0.5943 NPC203076
Remote Similarity 0.594 NPC194857
Remote Similarity 0.594 NPC473962
Remote Similarity 0.594 NPC32858
Remote Similarity 0.594 NPC207428
Remote Similarity 0.5938 NPC6975
Remote Similarity 0.5938 NPC46427
Remote Similarity 0.5909 NPC300315
Remote Similarity 0.5903 NPC66936
Remote Similarity 0.5893 NPC25565
Remote Similarity 0.5889 NPC120441
Remote Similarity 0.5889 NPC65873
Remote Similarity 0.5889 NPC300345
Remote Similarity 0.5889 NPC212114
Remote Similarity 0.5887 NPC239357
Remote Similarity 0.5887 NPC470544
Remote Similarity 0.5878 NPC145754
Remote Similarity 0.5874 NPC109787
Remote Similarity 0.5872 NPC316108
Remote Similarity 0.5865 NPC14326
Remote Similarity 0.5852 NPC316104
Remote Similarity 0.5852 NPC162417
Remote Similarity 0.5849 NPC3210
Remote Similarity 0.5843 NPC149436
Remote Similarity 0.5843 NPC277704
Remote Similarity 0.5841 NPC473501
Remote Similarity 0.5841 NPC475439
Remote Similarity 0.584 NPC470545
Remote Similarity 0.5833 NPC311343
Remote Similarity 0.5833 NPC473329
Remote Similarity 0.5827 NPC302169
Remote Similarity 0.5827 NPC468984
Remote Similarity 0.5827 NPC326232
Remote Similarity 0.5827 NPC470301
Remote Similarity 0.5827 NPC27833
Remote Similarity 0.5826 NPC326792
Remote Similarity 0.5826 NPC155847
Remote Similarity 0.5826 NPC228400
Remote Similarity 0.5826 NPC289381
Remote Similarity 0.5826 NPC214200
Remote Similarity 0.5824 NPC8235
Remote Similarity 0.5814 NPC283130
Remote Similarity 0.5814 NPC175726
Remote Similarity 0.5814 NPC474082
Remote Similarity 0.5814 NPC328683
Remote Similarity 0.5806 NPC473573
Remote Similarity 0.5804 NPC58674
Remote Similarity 0.5794 NPC470546
Remote Similarity 0.5794 NPC220698
Remote Similarity 0.5778 NPC198841
Remote Similarity 0.5773 NPC98880
Remote Similarity 0.5772 NPC187036
Remote Similarity 0.5772 NPC57051
Remote Similarity 0.5763 NPC67043
Remote Similarity 0.5763 NPC167336
Remote Similarity 0.5761 NPC147062
Remote Similarity 0.5761 NPC169110
Remote Similarity 0.576 NPC313673
Remote Similarity 0.5755 NPC133162
Remote Similarity 0.5746 NPC126458
Remote Similarity 0.5745 NPC50266
Remote Similarity 0.5743 NPC302129
Remote Similarity 0.5741 NPC262295
Remote Similarity 0.5739 NPC12730
Remote Similarity 0.5729 NPC52330
Remote Similarity 0.5727 NPC172128
Remote Similarity 0.5726 NPC471310
Remote Similarity 0.5725 NPC52764
Remote Similarity 0.5725 NPC171372
Remote Similarity 0.5725 NPC122553
Remote Similarity 0.5714 NPC473322
Remote Similarity 0.5714 NPC291070
Remote Similarity 0.5714 NPC246757
Remote Similarity 0.5714 NPC95289
Remote Similarity 0.5705 NPC222029
Remote Similarity 0.5702 NPC311242
Remote Similarity 0.5699 NPC310758
Remote Similarity 0.5699 NPC150196
Remote Similarity 0.5699 NPC248705
Remote Similarity 0.5699 NPC45255
Remote Similarity 0.5699 NPC54368
Remote Similarity 0.5699 NPC238023
Remote Similarity 0.5699 NPC210849
Remote Similarity 0.5699 NPC135924
Remote Similarity 0.569 NPC474582
Remote Similarity 0.5688 NPC30445
Remote Similarity 0.5688 NPC111233
Remote Similarity 0.5688 NPC325441
Remote Similarity 0.5682 NPC322433
Remote Similarity 0.5682 NPC250476
Remote Similarity 0.568 NPC288232
Remote Similarity 0.5672 NPC200589
Remote Similarity 0.5669 NPC264580
Remote Similarity 0.5667 NPC276085
Remote Similarity 0.5667 NPC20322
Remote Similarity 0.5659 NPC71684

Drug Structure

External Identifiers

TTD   DNC001040
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   4124851
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  222.05
ALogP  0.4717
MLogP  2.01
XLogP  2.432
HDA  4
HBD  0
Rotatable Bonds  3
TPSA  65.92
RO5 Violation  0