Drug Information

Drug ID:  NPD9706
Drug Name:  
Molecular Formula:  C9H7NO
Canonical SMILES:  Oc1cncc2c1cccc2
Standard InCHI:  InChI=1S/C9H7NO/c11-9-6-10-5-7-3-1-2-4-8(7)9/h1-6,11H
Standard InCHIKey:  DXTUTXYCHFWRQC-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD9706

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 0.879 NPC252590
High Similarity 0.8726 NPC314940
High Similarity 0.8726 NPC473764
Intermediate Similarity 0.8403 NPC174421
Intermediate Similarity 0.8239 NPC473057
Intermediate Similarity 0.8176 NPC124542
Intermediate Similarity 0.8176 NPC471177
Intermediate Similarity 0.8176 NPC59779
Intermediate Similarity 0.8089 NPC63562
Intermediate Similarity 0.8079 NPC318935
Intermediate Similarity 0.8075 NPC471178
Intermediate Similarity 0.8052 NPC220523
Intermediate Similarity 0.8012 NPC97367
Intermediate Similarity 0.7987 NPC132680
Intermediate Similarity 0.7987 NPC269919
Intermediate Similarity 0.7965 NPC3715
Intermediate Similarity 0.7888 NPC324203
Intermediate Similarity 0.7888 NPC63338
Intermediate Similarity 0.7888 NPC322976
Intermediate Similarity 0.7791 NPC263439
Intermediate Similarity 0.7791 NPC211187
Intermediate Similarity 0.7758 NPC44161
Intermediate Similarity 0.7753 NPC192315
Intermediate Similarity 0.7751 NPC164340
Intermediate Similarity 0.774 NPC151489
Intermediate Similarity 0.7709 NPC476167
Intermediate Similarity 0.7697 NPC108469
Intermediate Similarity 0.7677 NPC60553
Intermediate Similarity 0.7627 NPC329541
Intermediate Similarity 0.7605 NPC256828
Intermediate Similarity 0.7588 NPC184964
Intermediate Similarity 0.7584 NPC146724
Intermediate Similarity 0.7561 NPC25899
Intermediate Similarity 0.7554 NPC477113
Intermediate Similarity 0.7544 NPC42979
Intermediate Similarity 0.7529 NPC224764
Intermediate Similarity 0.7516 NPC470403
Intermediate Similarity 0.7516 NPC470394
Intermediate Similarity 0.7516 NPC470404
Intermediate Similarity 0.7515 NPC48192
Intermediate Similarity 0.7514 NPC220765
Intermediate Similarity 0.75 NPC271792
Intermediate Similarity 0.75 NPC143603
Intermediate Similarity 0.7473 NPC18348
Intermediate Similarity 0.7473 NPC477111
Intermediate Similarity 0.7471 NPC204717
Intermediate Similarity 0.7429 NPC314002
Intermediate Similarity 0.7427 NPC150048
Intermediate Similarity 0.7427 NPC203754
Intermediate Similarity 0.7421 NPC470395
Intermediate Similarity 0.7401 NPC44354
Intermediate Similarity 0.74 NPC165370
Intermediate Similarity 0.74 NPC306397
Intermediate Similarity 0.74 NPC212125
Intermediate Similarity 0.7391 NPC470678
Intermediate Similarity 0.7386 NPC171171
Intermediate Similarity 0.7384 NPC96890
Intermediate Similarity 0.7374 NPC324149
Intermediate Similarity 0.7345 NPC46580
Intermediate Similarity 0.7329 NPC257142
Intermediate Similarity 0.732 NPC256893
Intermediate Similarity 0.732 NPC324611
Intermediate Similarity 0.7308 NPC267928
Intermediate Similarity 0.7301 NPC153769
Intermediate Similarity 0.7299 NPC478032
Intermediate Similarity 0.7299 NPC325705
Intermediate Similarity 0.7299 NPC52831
Intermediate Similarity 0.7285 NPC471313
Intermediate Similarity 0.7285 NPC471311
Intermediate Similarity 0.7278 NPC56170
Intermediate Similarity 0.7278 NPC471448
Intermediate Similarity 0.7278 NPC99666
Intermediate Similarity 0.726 NPC91958
Intermediate Similarity 0.7253 NPC473053
Intermediate Similarity 0.7251 NPC253810
Intermediate Similarity 0.7246 NPC131718
Intermediate Similarity 0.7244 NPC29702
Intermediate Similarity 0.7219 NPC470500
Intermediate Similarity 0.7213 NPC90229
Intermediate Similarity 0.7213 NPC224928
Intermediate Similarity 0.7202 NPC470799
Intermediate Similarity 0.7202 NPC177404
Intermediate Similarity 0.7202 NPC8022
Intermediate Similarity 0.7202 NPC477110
Intermediate Similarity 0.7195 NPC284348
Intermediate Similarity 0.7189 NPC19872
Intermediate Similarity 0.7182 NPC133140
Intermediate Similarity 0.7182 NPC195268
Intermediate Similarity 0.716 NPC102423
Intermediate Similarity 0.716 NPC118511
Intermediate Similarity 0.716 NPC161292
Intermediate Similarity 0.7159 NPC266551
Intermediate Similarity 0.7159 NPC161887
Intermediate Similarity 0.7159 NPC219963
Intermediate Similarity 0.7158 NPC242209
Intermediate Similarity 0.7143 NPC289786
Intermediate Similarity 0.7143 NPC315320
Intermediate Similarity 0.7134 NPC328029
Intermediate Similarity 0.7128 NPC173080
Intermediate Similarity 0.7128 NPC47059
Intermediate Similarity 0.7128 NPC264166
Intermediate Similarity 0.7128 NPC274291
Intermediate Similarity 0.7128 NPC329708
Intermediate Similarity 0.7128 NPC165349
Intermediate Similarity 0.7128 NPC118832
Intermediate Similarity 0.712 NPC5145
Intermediate Similarity 0.712 NPC77555
Intermediate Similarity 0.7119 NPC48938
Intermediate Similarity 0.7112 NPC211813
Intermediate Similarity 0.7076 NPC41717
Intermediate Similarity 0.7074 NPC200836
Intermediate Similarity 0.7074 NPC475774
Intermediate Similarity 0.7062 NPC470474
Intermediate Similarity 0.7056 NPC36498
Intermediate Similarity 0.7051 NPC322488
Intermediate Similarity 0.7039 NPC42591
Intermediate Similarity 0.7039 NPC295158
Intermediate Similarity 0.7037 NPC475070
Intermediate Similarity 0.7027 NPC156704
Intermediate Similarity 0.7024 NPC116573
Intermediate Similarity 0.7011 NPC326634
Intermediate Similarity 0.7011 NPC471294
Intermediate Similarity 0.7005 NPC315804
Intermediate Similarity 0.7005 NPC315491
Intermediate Similarity 0.7005 NPC45459
Intermediate Similarity 0.7005 NPC313804
Intermediate Similarity 0.7 NPC47298
Intermediate Similarity 0.7 NPC315214
Intermediate Similarity 0.7 NPC280853
Remote Similarity 0.6994 NPC164664
Remote Similarity 0.6984 NPC245816
Remote Similarity 0.6984 NPC476138
Remote Similarity 0.6984 NPC53144
Remote Similarity 0.6983 NPC207851
Remote Similarity 0.6982 NPC113812
Remote Similarity 0.6981 NPC114310
Remote Similarity 0.6978 NPC144381
Remote Similarity 0.6977 NPC98187
Remote Similarity 0.6973 NPC222018
Remote Similarity 0.6959 NPC32028
Remote Similarity 0.6959 NPC112206
Remote Similarity 0.6959 NPC159319
Remote Similarity 0.6959 NPC202605
Remote Similarity 0.6957 NPC226202
Remote Similarity 0.6957 NPC245657
Remote Similarity 0.6957 NPC285016
Remote Similarity 0.6952 NPC287437
Remote Similarity 0.6949 NPC149402
Remote Similarity 0.6947 NPC472259
Remote Similarity 0.6946 NPC26872
Remote Similarity 0.6944 NPC20249
Remote Similarity 0.6937 NPC471596
Remote Similarity 0.6933 NPC471323
Remote Similarity 0.6927 NPC287208
Remote Similarity 0.6923 NPC32771
Remote Similarity 0.6923 NPC282398
Remote Similarity 0.6923 NPC230805
Remote Similarity 0.6923 NPC472289
Remote Similarity 0.6915 NPC234197
Remote Similarity 0.6915 NPC477019
Remote Similarity 0.6915 NPC213308
Remote Similarity 0.6914 NPC474409
Remote Similarity 0.6914 NPC259545
Remote Similarity 0.6914 NPC313791
Remote Similarity 0.6911 NPC476121
Remote Similarity 0.6911 NPC476124
Remote Similarity 0.6908 NPC46358
Remote Similarity 0.6906 NPC314573
Remote Similarity 0.6897 NPC126481
Remote Similarity 0.6891 NPC185782
Remote Similarity 0.6882 NPC84508
Remote Similarity 0.6882 NPC251090
Remote Similarity 0.6881 NPC103687
Remote Similarity 0.6881 NPC132631
Remote Similarity 0.6878 NPC31930
Remote Similarity 0.6875 NPC139763
Remote Similarity 0.6875 NPC303225
Remote Similarity 0.6875 NPC193238
Remote Similarity 0.6875 NPC471312
Remote Similarity 0.6869 NPC314270
Remote Similarity 0.6868 NPC254762
Remote Similarity 0.6865 NPC307963
Remote Similarity 0.6865 NPC230403
Remote Similarity 0.6864 NPC141353
Remote Similarity 0.6862 NPC476578
Remote Similarity 0.6862 NPC4071
Remote Similarity 0.6862 NPC476582
Remote Similarity 0.6857 NPC158129
Remote Similarity 0.6857 NPC14651
Remote Similarity 0.6857 NPC121658
Remote Similarity 0.6854 NPC232340
Remote Similarity 0.6854 NPC72980
Remote Similarity 0.6842 NPC120798
Remote Similarity 0.6831 NPC296527
Remote Similarity 0.6829 NPC476451
Remote Similarity 0.6829 NPC471598
Remote Similarity 0.6824 NPC138018
Remote Similarity 0.6824 NPC26850
Remote Similarity 0.6824 NPC129721
Remote Similarity 0.6809 NPC212213

Drug Structure

External Identifiers

TTD   DIB012774
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   18750
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  145.05
ALogP  -0.4603
MLogP  2.23
XLogP  1.891
HDA  1
HBD  1
Rotatable Bonds  1
TPSA  33.12
RO5 Violation  0