Drug Information

Drug ID:  NPD1528
Drug Name:  
Molecular Formula:  C15H11NS
Canonical SMILES:  c1ccc2c(c1)SCc1c2[nH]c2c1cccc2
Standard InCHI:  InChI=1S/C15H11NS/c1-3-7-13-10(5-1)12-9-17-14-8-4-2-6-11(14)15(12)16-13/h1-8,16H,9H2
Standard InCHIKey:  ZGOOPZVQMLHPFM-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1528

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
High Similarity 0.8867 NPC474791
High Similarity 0.8686 NPC250361
High Similarity 0.8561 NPC473762
High Similarity 0.85 NPC473587
Intermediate Similarity 0.8467 NPC148592
Intermediate Similarity 0.8451 NPC473930
Intermediate Similarity 0.844 NPC475428
Intermediate Similarity 0.838 NPC179365
Intermediate Similarity 0.838 NPC475450
Intermediate Similarity 0.8261 NPC41174
Intermediate Similarity 0.8182 NPC22079
Intermediate Similarity 0.8108 NPC312092
Intermediate Similarity 0.8082 NPC198988
Intermediate Similarity 0.8054 NPC284635
Intermediate Similarity 0.8052 NPC470823
Intermediate Similarity 0.8052 NPC216713
Intermediate Similarity 0.8027 NPC325252
Intermediate Similarity 0.8 NPC161108
Intermediate Similarity 0.7987 NPC88097
Intermediate Similarity 0.7971 NPC54102
Intermediate Similarity 0.7971 NPC162689
Intermediate Similarity 0.7933 NPC115611
Intermediate Similarity 0.7902 NPC476140
Intermediate Similarity 0.7892 NPC164228
Intermediate Similarity 0.7815 NPC2949
Intermediate Similarity 0.7815 NPC59084
Intermediate Similarity 0.7785 NPC261195
Intermediate Similarity 0.7785 NPC96102
Intermediate Similarity 0.7785 NPC29886
Intermediate Similarity 0.7785 NPC218268
Intermediate Similarity 0.7763 NPC473868
Intermediate Similarity 0.7763 NPC63157
Intermediate Similarity 0.7742 NPC471957
Intermediate Similarity 0.7733 NPC105127
Intermediate Similarity 0.7733 NPC84911
Intermediate Similarity 0.7698 NPC148140
Intermediate Similarity 0.7677 NPC63545
Intermediate Similarity 0.7677 NPC288838
Intermediate Similarity 0.7658 NPC325903
Intermediate Similarity 0.7643 NPC81561
Intermediate Similarity 0.7643 NPC33421
Intermediate Similarity 0.7639 NPC122718
Intermediate Similarity 0.7635 NPC82295
Intermediate Similarity 0.7632 NPC110126
Intermediate Similarity 0.7632 NPC73767
Intermediate Similarity 0.7628 NPC469811
Intermediate Similarity 0.7628 NPC21605
Intermediate Similarity 0.7628 NPC201380
Intermediate Similarity 0.7628 NPC477134
Intermediate Similarity 0.7628 NPC179787
Intermediate Similarity 0.7616 NPC125746
Intermediate Similarity 0.7613 NPC470440
Intermediate Similarity 0.7613 NPC204141
Intermediate Similarity 0.7582 NPC469767
Intermediate Similarity 0.7582 NPC469761
Intermediate Similarity 0.7582 NPC469768
Intermediate Similarity 0.7582 NPC469783
Intermediate Similarity 0.7582 NPC279081
Intermediate Similarity 0.7582 NPC469779
Intermediate Similarity 0.7582 NPC469780
Intermediate Similarity 0.7582 NPC469784
Intermediate Similarity 0.758 NPC321911
Intermediate Similarity 0.7571 NPC272483
Intermediate Similarity 0.7548 NPC242556
Intermediate Similarity 0.7547 NPC200214
Intermediate Similarity 0.7532 NPC469766
Intermediate Similarity 0.7532 NPC53947
Intermediate Similarity 0.7484 NPC190296
Intermediate Similarity 0.7483 NPC215519
Intermediate Similarity 0.7469 NPC475990
Intermediate Similarity 0.7469 NPC474880
Intermediate Similarity 0.7469 NPC221786
Intermediate Similarity 0.7468 NPC230002
Intermediate Similarity 0.7452 NPC143872
Intermediate Similarity 0.7423 NPC215584
Intermediate Similarity 0.7423 NPC229173
Intermediate Similarity 0.7423 NPC44773
Intermediate Similarity 0.7407 NPC216643
Intermediate Similarity 0.7389 NPC159856
Intermediate Similarity 0.7389 NPC314372
Intermediate Similarity 0.7375 NPC470233
Intermediate Similarity 0.7365 NPC474168
Intermediate Similarity 0.7362 NPC56765
Intermediate Similarity 0.7358 NPC124005
Intermediate Similarity 0.7358 NPC37548
Intermediate Similarity 0.7333 NPC317105
Intermediate Similarity 0.7317 NPC122141
Intermediate Similarity 0.7301 NPC286427
Intermediate Similarity 0.7301 NPC76982
Intermediate Similarity 0.7301 NPC236711
Intermediate Similarity 0.7261 NPC320863
Intermediate Similarity 0.7256 NPC135141
Intermediate Similarity 0.7256 NPC206819
Intermediate Similarity 0.7256 NPC41257
Intermediate Similarity 0.7256 NPC318065
Intermediate Similarity 0.7256 NPC92796
Intermediate Similarity 0.7251 NPC248454
Intermediate Similarity 0.725 NPC2272
Intermediate Similarity 0.7212 NPC470204
Intermediate Similarity 0.7205 NPC24678
Intermediate Similarity 0.7205 NPC105818
Intermediate Similarity 0.7178 NPC470507
Intermediate Similarity 0.7178 NPC38736
Intermediate Similarity 0.7178 NPC471458
Intermediate Similarity 0.7178 NPC476219
Intermediate Similarity 0.7169 NPC470203
Intermediate Similarity 0.7161 NPC251722
Intermediate Similarity 0.7161 NPC314102
Intermediate Similarity 0.716 NPC474897
Intermediate Similarity 0.7143 NPC187951
Intermediate Similarity 0.7134 NPC285469
Intermediate Similarity 0.7134 NPC184476
Intermediate Similarity 0.7134 NPC141353
Intermediate Similarity 0.7126 NPC271797
Intermediate Similarity 0.7126 NPC21174
Intermediate Similarity 0.7126 NPC162799
Intermediate Similarity 0.7125 NPC129042
Intermediate Similarity 0.7117 NPC469763
Intermediate Similarity 0.7117 NPC259644
Intermediate Similarity 0.7117 NPC141926
Intermediate Similarity 0.7117 NPC25008
Intermediate Similarity 0.7117 NPC469765
Intermediate Similarity 0.7117 NPC73952
Intermediate Similarity 0.7117 NPC469786
Intermediate Similarity 0.7117 NPC469760
Intermediate Similarity 0.7115 NPC169433
Intermediate Similarity 0.7101 NPC63751
Intermediate Similarity 0.7095 NPC46358
Intermediate Similarity 0.7091 NPC299594
Intermediate Similarity 0.7086 NPC163055
Intermediate Similarity 0.7083 NPC274229
Intermediate Similarity 0.7073 NPC70922
Intermediate Similarity 0.7073 NPC80597
Intermediate Similarity 0.7073 NPC211572
Intermediate Similarity 0.7073 NPC476297
Intermediate Similarity 0.7073 NPC212376
Intermediate Similarity 0.7073 NPC34844
Intermediate Similarity 0.7073 NPC75540
Intermediate Similarity 0.707 NPC104483
Intermediate Similarity 0.7063 NPC285731
Intermediate Similarity 0.7059 NPC91895
Intermediate Similarity 0.705 NPC302790
Intermediate Similarity 0.7044 NPC20144
Intermediate Similarity 0.703 NPC469785
Intermediate Similarity 0.7024 NPC247987
Intermediate Similarity 0.7024 NPC90723
Intermediate Similarity 0.7019 NPC478186
Intermediate Similarity 0.7019 NPC316069
Intermediate Similarity 0.7012 NPC232798
Intermediate Similarity 0.7006 NPC279918
Intermediate Similarity 0.7006 NPC473320
Intermediate Similarity 0.7 NPC154293
Intermediate Similarity 0.7 NPC273714
Intermediate Similarity 0.7 NPC317430
Remote Similarity 0.6994 NPC280852
Remote Similarity 0.6988 NPC316910
Remote Similarity 0.6988 NPC469762
Remote Similarity 0.6977 NPC252572
Remote Similarity 0.6975 NPC114209
Remote Similarity 0.6964 NPC282231
Remote Similarity 0.6964 NPC16667
Remote Similarity 0.6959 NPC97343
Remote Similarity 0.6959 NPC194411
Remote Similarity 0.6946 NPC230869
Remote Similarity 0.6943 NPC150259
Remote Similarity 0.6936 NPC329688
Remote Similarity 0.6936 NPC189812
Remote Similarity 0.6923 NPC8104
Remote Similarity 0.6923 NPC271734
Remote Similarity 0.6919 NPC82331
Remote Similarity 0.6905 NPC131718
Remote Similarity 0.6901 NPC201700
Remote Similarity 0.689 NPC40070
Remote Similarity 0.6882 NPC17751
Remote Similarity 0.6882 NPC115232
Remote Similarity 0.6882 NPC280864
Remote Similarity 0.6879 NPC97525
Remote Similarity 0.6879 NPC161861
Remote Similarity 0.6879 NPC472123
Remote Similarity 0.6879 NPC474409
Remote Similarity 0.6879 NPC477611
Remote Similarity 0.6875 NPC88121
Remote Similarity 0.6871 NPC470111
Remote Similarity 0.6867 NPC207726
Remote Similarity 0.6864 NPC225018
Remote Similarity 0.6864 NPC214106
Remote Similarity 0.686 NPC471943
Remote Similarity 0.6857 NPC59269
Remote Similarity 0.6845 NPC469308
Remote Similarity 0.6842 NPC474561
Remote Similarity 0.6842 NPC175916
Remote Similarity 0.6842 NPC49954
Remote Similarity 0.6842 NPC54988
Remote Similarity 0.6839 NPC37423
Remote Similarity 0.6839 NPC275305
Remote Similarity 0.6824 NPC311276
Remote Similarity 0.6824 NPC40779
Remote Similarity 0.6824 NPC102423
Remote Similarity 0.6823 NPC147810
Remote Similarity 0.6813 NPC238499

Drug Structure

External Identifiers

TTD   DNC013256
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   297589
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  237.06
ALogP  0.1818
MLogP  2.89
XLogP  4.791
HDA  1
HBD  1
Rotatable Bonds  0
TPSA  41.09
RO5 Violation  0