Drug Information

Drug ID:  NPD9697
Drug Name:  Coumarin
Molecular Formula:  C9H6O2
Canonical SMILES:  O=c1ccc2c(o1)cccc2
Standard InCHI:  InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
Standard InCHIKey:  ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9697

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 1.0 NPC139891
High Similarity 0.9412 NPC149545
High Similarity 0.9327 NPC266116
High Similarity 0.932 NPC141068
High Similarity 0.9151 NPC87563
High Similarity 0.8981 NPC163398
High Similarity 0.8981 NPC128633
High Similarity 0.8835 NPC128730
High Similarity 0.8835 NPC227255
High Similarity 0.8818 NPC265547
High Similarity 0.8818 NPC152306
High Similarity 0.8812 NPC107101
High Similarity 0.8807 NPC33717
High Similarity 0.875 NPC176971
High Similarity 0.8739 NPC298796
High Similarity 0.8739 NPC281356
High Similarity 0.8738 NPC109637
High Similarity 0.8725 NPC307425
High Similarity 0.8692 NPC233238
High Similarity 0.8667 NPC151530
High Similarity 0.8667 NPC157473
High Similarity 0.8661 NPC247553
High Similarity 0.8661 NPC14177
High Similarity 0.8649 NPC96705
High Similarity 0.8641 NPC179686
High Similarity 0.8584 NPC180006
High Similarity 0.8584 NPC235190
High Similarity 0.8584 NPC302107
High Similarity 0.8584 NPC307253
High Similarity 0.8584 NPC319378
High Similarity 0.8584 NPC163200
High Similarity 0.8559 NPC263754
High Similarity 0.8559 NPC183154
High Similarity 0.8558 NPC283546
High Similarity 0.8544 NPC84325
High Similarity 0.8532 NPC90903
Intermediate Similarity 0.8496 NPC31314
Intermediate Similarity 0.8496 NPC474874
Intermediate Similarity 0.8496 NPC193193
Intermediate Similarity 0.8476 NPC473393
Intermediate Similarity 0.8476 NPC473855
Intermediate Similarity 0.844 NPC280760
Intermediate Similarity 0.8435 NPC13007
Intermediate Similarity 0.8435 NPC96286
Intermediate Similarity 0.8435 NPC257188
Intermediate Similarity 0.8435 NPC248429
Intermediate Similarity 0.8426 NPC473809
Intermediate Similarity 0.8411 NPC291837
Intermediate Similarity 0.8407 NPC98748
Intermediate Similarity 0.8396 NPC326447
Intermediate Similarity 0.8381 NPC2518
Intermediate Similarity 0.8362 NPC472518
Intermediate Similarity 0.8362 NPC109675
Intermediate Similarity 0.8362 NPC273772
Intermediate Similarity 0.8348 NPC52247
Intermediate Similarity 0.8348 NPC144418
Intermediate Similarity 0.8333 NPC230951
Intermediate Similarity 0.8333 NPC259554
Intermediate Similarity 0.8302 NPC288760
Intermediate Similarity 0.8291 NPC73413
Intermediate Similarity 0.8291 NPC27671
Intermediate Similarity 0.8291 NPC201667
Intermediate Similarity 0.8291 NPC111347
Intermediate Similarity 0.8276 NPC151237
Intermediate Similarity 0.8276 NPC27198
Intermediate Similarity 0.8273 NPC199462
Intermediate Similarity 0.8261 NPC322569
Intermediate Similarity 0.8257 NPC88868
Intermediate Similarity 0.8257 NPC25067
Intermediate Similarity 0.8257 NPC231251
Intermediate Similarity 0.8252 NPC175298
Intermediate Similarity 0.8252 NPC95755
Intermediate Similarity 0.8246 NPC264976
Intermediate Similarity 0.823 NPC45104
Intermediate Similarity 0.822 NPC244495
Intermediate Similarity 0.822 NPC93219
Intermediate Similarity 0.8205 NPC315807
Intermediate Similarity 0.8205 NPC154176
Intermediate Similarity 0.8205 NPC173350
Intermediate Similarity 0.8205 NPC290605
Intermediate Similarity 0.819 NPC187868
Intermediate Similarity 0.8158 NPC32298
Intermediate Similarity 0.8151 NPC188327
Intermediate Similarity 0.8151 NPC234109
Intermediate Similarity 0.8142 NPC470860
Intermediate Similarity 0.8136 NPC291899
Intermediate Similarity 0.8136 NPC229113
Intermediate Similarity 0.8136 NPC107846
Intermediate Similarity 0.8136 NPC470008
Intermediate Similarity 0.8136 NPC89630
Intermediate Similarity 0.8131 NPC238115
Intermediate Similarity 0.812 NPC311219
Intermediate Similarity 0.8095 NPC13755
Intermediate Similarity 0.8087 NPC54243
Intermediate Similarity 0.8083 NPC258567
Intermediate Similarity 0.8083 NPC121740
Intermediate Similarity 0.8083 NPC243688
Intermediate Similarity 0.8083 NPC224774
Intermediate Similarity 0.807 NPC217423
Intermediate Similarity 0.8067 NPC471827
Intermediate Similarity 0.8067 NPC168259
Intermediate Similarity 0.8067 NPC471828
Intermediate Similarity 0.8067 NPC165556
Intermediate Similarity 0.8058 NPC246679
Intermediate Similarity 0.8053 NPC188907
Intermediate Similarity 0.8051 NPC248786
Intermediate Similarity 0.8036 NPC303522
Intermediate Similarity 0.8036 NPC279916
Intermediate Similarity 0.8018 NPC245552
Intermediate Similarity 0.8017 NPC472519
Intermediate Similarity 0.8017 NPC185066
Intermediate Similarity 0.8017 NPC199204
Intermediate Similarity 0.8017 NPC157212
Intermediate Similarity 0.8017 NPC469453
Intermediate Similarity 0.8 NPC124916
Intermediate Similarity 0.8 NPC152159
Intermediate Similarity 0.8 NPC471826
Intermediate Similarity 0.7965 NPC235250
Intermediate Similarity 0.7963 NPC475269
Intermediate Similarity 0.7963 NPC127676
Intermediate Similarity 0.7951 NPC238309
Intermediate Similarity 0.7951 NPC474289
Intermediate Similarity 0.7951 NPC168710
Intermediate Similarity 0.7934 NPC161322
Intermediate Similarity 0.7934 NPC142087
Intermediate Similarity 0.7934 NPC95034
Intermediate Similarity 0.7931 NPC43435
Intermediate Similarity 0.7931 NPC35744
Intermediate Similarity 0.7928 NPC106141
Intermediate Similarity 0.7917 NPC88403
Intermediate Similarity 0.7909 NPC206341
Intermediate Similarity 0.7899 NPC50720
Intermediate Similarity 0.7895 NPC296526
Intermediate Similarity 0.7895 NPC51345
Intermediate Similarity 0.789 NPC326801
Intermediate Similarity 0.789 NPC1065
Intermediate Similarity 0.7886 NPC113098
Intermediate Similarity 0.7886 NPC244799
Intermediate Similarity 0.7886 NPC80170
Intermediate Similarity 0.7886 NPC240722
Intermediate Similarity 0.7886 NPC19242
Intermediate Similarity 0.7881 NPC476165
Intermediate Similarity 0.7869 NPC81261
Intermediate Similarity 0.7869 NPC2401
Intermediate Similarity 0.7863 NPC168050
Intermediate Similarity 0.7851 NPC329272
Intermediate Similarity 0.7851 NPC101894
Intermediate Similarity 0.7845 NPC293424
Intermediate Similarity 0.7823 NPC29734
Intermediate Similarity 0.7823 NPC272650
Intermediate Similarity 0.7823 NPC267336
Intermediate Similarity 0.7823 NPC73738
Intermediate Similarity 0.7818 NPC194034
Intermediate Similarity 0.7815 NPC476332
Intermediate Similarity 0.7815 NPC150214
Intermediate Similarity 0.7815 NPC473464
Intermediate Similarity 0.7807 NPC114144
Intermediate Similarity 0.7805 NPC123127
Intermediate Similarity 0.7805 NPC27239
Intermediate Similarity 0.7788 NPC474920
Intermediate Similarity 0.7787 NPC37512
Intermediate Similarity 0.7778 NPC304638
Intermediate Similarity 0.7778 NPC37858
Intermediate Similarity 0.7767 NPC321956
Intermediate Similarity 0.776 NPC14248
Intermediate Similarity 0.776 NPC175159
Intermediate Similarity 0.776 NPC137669
Intermediate Similarity 0.776 NPC19157
Intermediate Similarity 0.776 NPC281558
Intermediate Similarity 0.776 NPC137949
Intermediate Similarity 0.776 NPC194277
Intermediate Similarity 0.7759 NPC471503
Intermediate Similarity 0.7759 NPC471498
Intermediate Similarity 0.7757 NPC253746
Intermediate Similarity 0.775 NPC472888
Intermediate Similarity 0.775 NPC143725
Intermediate Similarity 0.775 NPC93730
Intermediate Similarity 0.7745 NPC99886
Intermediate Similarity 0.7745 NPC259134
Intermediate Similarity 0.7745 NPC177844
Intermediate Similarity 0.7745 NPC8002
Intermediate Similarity 0.7742 NPC32463
Intermediate Similarity 0.7742 NPC2989
Intermediate Similarity 0.7739 NPC220540
Intermediate Similarity 0.7731 NPC314329
Intermediate Similarity 0.7724 NPC146540
Intermediate Similarity 0.7719 NPC53953
Intermediate Similarity 0.7712 NPC470092
Intermediate Similarity 0.7712 NPC246214
Intermediate Similarity 0.7706 NPC108875
Intermediate Similarity 0.7706 NPC38079
Intermediate Similarity 0.7698 NPC207002
Intermediate Similarity 0.7698 NPC2363
Intermediate Similarity 0.7698 NPC471910
Intermediate Similarity 0.7698 NPC167111
Intermediate Similarity 0.7698 NPC472524
Intermediate Similarity 0.7698 NPC233018
Intermediate Similarity 0.7698 NPC318400
Intermediate Similarity 0.7698 NPC163557
Intermediate Similarity 0.7698 NPC241341

Drug Structure

External Identifiers

TTD  
DrugBank   DB04665
ChEMBL   CHEMBL6466
IUPHAR/BPS  
PharmaGKB   PA134521193
KEGG Drug  
PubChem CID  
ChEBI   28794
CAS Number  91-64-5

Drug Properties

Molecular Weight  146.04
ALogP  0.27
MLogP  2.23
XLogP  2.706
HDA  1
HBD  0
Rotatable Bonds  0
TPSA  26.3
RO5 Violation  0