Drug Information

Drug ID:  NPD9294
Drug Name:  Benzyl Alcohol
Molecular Formula:  C7H8O
Canonical SMILES:  OCc1ccccc1
Standard InCHI:  InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
Standard InCHIKey:  WVDDGKGOMKODPV-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9294

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 NPC66655
High Similarity 0.9467 NPC117180
High Similarity 0.9342 NPC329319
High Similarity 0.9342 NPC99394
High Similarity 0.9342 NPC87299
High Similarity 0.9342 NPC103326
High Similarity 0.9221 NPC172984
High Similarity 0.9103 NPC304538
High Similarity 0.9041 NPC108218
High Similarity 0.8875 NPC93843
High Similarity 0.8767 NPC208302
High Similarity 0.8718 NPC133050
High Similarity 0.8611 NPC78954
High Similarity 0.8611 NPC239931
High Similarity 0.8611 NPC82770
High Similarity 0.8571 NPC224544
High Similarity 0.8554 NPC1793
High Similarity 0.8554 NPC199567
High Similarity 0.8537 NPC211237
Intermediate Similarity 0.8395 NPC168855
Intermediate Similarity 0.8375 NPC283012
Intermediate Similarity 0.8375 NPC475199
Intermediate Similarity 0.8353 NPC300017
Intermediate Similarity 0.8353 NPC300478
Intermediate Similarity 0.8353 NPC79917
Intermediate Similarity 0.8353 NPC47950
Intermediate Similarity 0.8353 NPC312304
Intermediate Similarity 0.8333 NPC104216
Intermediate Similarity 0.8293 NPC474354
Intermediate Similarity 0.8272 NPC146703
Intermediate Similarity 0.8256 NPC265521
Intermediate Similarity 0.8256 NPC128645
Intermediate Similarity 0.825 NPC165212
Intermediate Similarity 0.8193 NPC474211
Intermediate Similarity 0.8193 NPC286904
Intermediate Similarity 0.8182 NPC189371
Intermediate Similarity 0.8161 NPC325292
Intermediate Similarity 0.8161 NPC138117
Intermediate Similarity 0.8148 NPC106313
Intermediate Similarity 0.8125 NPC328178
Intermediate Similarity 0.8095 NPC198747
Intermediate Similarity 0.8095 NPC155393
Intermediate Similarity 0.8072 NPC124436
Intermediate Similarity 0.8072 NPC99482
Intermediate Similarity 0.8072 NPC265146
Intermediate Similarity 0.8068 NPC20142
Intermediate Similarity 0.8068 NPC215351
Intermediate Similarity 0.8 NPC307235
Intermediate Similarity 0.8 NPC407
Intermediate Similarity 0.8 NPC469894
Intermediate Similarity 0.8 NPC23167
Intermediate Similarity 0.7978 NPC21959
Intermediate Similarity 0.7978 NPC313650
Intermediate Similarity 0.7976 NPC150837
Intermediate Similarity 0.7976 NPC248817
Intermediate Similarity 0.7976 NPC175313
Intermediate Similarity 0.7907 NPC113460
Intermediate Similarity 0.7907 NPC27974
Intermediate Similarity 0.7907 NPC25493
Intermediate Similarity 0.7901 NPC184030
Intermediate Similarity 0.7901 NPC164449
Intermediate Similarity 0.7882 NPC197783
Intermediate Similarity 0.7857 NPC58616
Intermediate Similarity 0.7841 NPC314690
Intermediate Similarity 0.7816 NPC318325
Intermediate Similarity 0.7816 NPC242240
Intermediate Similarity 0.7816 NPC258219
Intermediate Similarity 0.7816 NPC123273
Intermediate Similarity 0.7816 NPC177420
Intermediate Similarity 0.7816 NPC280347
Intermediate Similarity 0.7802 NPC290515
Intermediate Similarity 0.7802 NPC226096
Intermediate Similarity 0.7802 NPC108606
Intermediate Similarity 0.7802 NPC210529
Intermediate Similarity 0.7802 NPC160548
Intermediate Similarity 0.7802 NPC164514
Intermediate Similarity 0.7802 NPC474073
Intermediate Similarity 0.7802 NPC303611
Intermediate Similarity 0.7802 NPC175852
Intermediate Similarity 0.7802 NPC88420
Intermediate Similarity 0.7791 NPC184169
Intermediate Similarity 0.7727 NPC192
Intermediate Similarity 0.7727 NPC55561
Intermediate Similarity 0.7717 NPC128723
Intermediate Similarity 0.7717 NPC132078
Intermediate Similarity 0.7717 NPC216468
Intermediate Similarity 0.7717 NPC51333
Intermediate Similarity 0.7717 NPC78119
Intermediate Similarity 0.7711 NPC121478
Intermediate Similarity 0.7711 NPC73637
Intermediate Similarity 0.7692 NPC283711
Intermediate Similarity 0.7683 NPC192623
Intermediate Similarity 0.7674 NPC89377
Intermediate Similarity 0.764 NPC204210
Intermediate Similarity 0.764 NPC231150
Intermediate Similarity 0.764 NPC306074
Intermediate Similarity 0.764 NPC45040
Intermediate Similarity 0.764 NPC304541
Intermediate Similarity 0.7634 NPC130103
Intermediate Similarity 0.7634 NPC469481
Intermediate Similarity 0.7634 NPC214200
Intermediate Similarity 0.7634 NPC294741
Intermediate Similarity 0.7634 NPC228400
Intermediate Similarity 0.7634 NPC213730
Intermediate Similarity 0.7634 NPC289117
Intermediate Similarity 0.7634 NPC174911
Intermediate Similarity 0.7614 NPC62765
Intermediate Similarity 0.7614 NPC70436
Intermediate Similarity 0.7614 NPC98772
Intermediate Similarity 0.7586 NPC304760
Intermediate Similarity 0.7582 NPC286006
Intermediate Similarity 0.7561 NPC170484
Intermediate Similarity 0.7556 NPC306884
Intermediate Similarity 0.7556 NPC162314
Intermediate Similarity 0.7556 NPC29373
Intermediate Similarity 0.7556 NPC210497
Intermediate Similarity 0.7556 NPC3358
Intermediate Similarity 0.7556 NPC271440
Intermediate Similarity 0.7556 NPC147284
Intermediate Similarity 0.7556 NPC55903
Intermediate Similarity 0.7556 NPC94139
Intermediate Similarity 0.7553 NPC40258
Intermediate Similarity 0.7553 NPC91461
Intermediate Similarity 0.7553 NPC7686
Intermediate Similarity 0.7553 NPC327226
Intermediate Similarity 0.7553 NPC110764
Intermediate Similarity 0.7529 NPC95429
Intermediate Similarity 0.7527 NPC131587
Intermediate Similarity 0.7527 NPC100870
Intermediate Similarity 0.75 NPC289201
Intermediate Similarity 0.75 NPC19680
Intermediate Similarity 0.75 NPC173443
Intermediate Similarity 0.75 NPC220893
Intermediate Similarity 0.7474 NPC160382
Intermediate Similarity 0.7474 NPC91820
Intermediate Similarity 0.7474 NPC19856
Intermediate Similarity 0.7474 NPC305205
Intermediate Similarity 0.7474 NPC82426
Intermediate Similarity 0.7474 NPC471228
Intermediate Similarity 0.7474 NPC235762
Intermediate Similarity 0.7473 NPC27323
Intermediate Similarity 0.7473 NPC316301
Intermediate Similarity 0.7473 NPC152415
Intermediate Similarity 0.7473 NPC128062
Intermediate Similarity 0.7473 NPC245187
Intermediate Similarity 0.7473 NPC289769
Intermediate Similarity 0.7473 NPC151715
Intermediate Similarity 0.7473 NPC76938
Intermediate Similarity 0.747 NPC121800
Intermediate Similarity 0.747 NPC309279
Intermediate Similarity 0.7444 NPC270547
Intermediate Similarity 0.7444 NPC155908
Intermediate Similarity 0.7412 NPC285773
Intermediate Similarity 0.7396 NPC249067
Intermediate Similarity 0.7396 NPC280616
Intermediate Similarity 0.7396 NPC475225
Intermediate Similarity 0.7396 NPC171831
Intermediate Similarity 0.7396 NPC315794
Intermediate Similarity 0.7396 NPC304761
Intermediate Similarity 0.7396 NPC12278
Intermediate Similarity 0.7396 NPC226778
Intermediate Similarity 0.7396 NPC242913
Intermediate Similarity 0.7396 NPC323810
Intermediate Similarity 0.7396 NPC150254
Intermediate Similarity 0.7396 NPC147000
Intermediate Similarity 0.7391 NPC246679
Intermediate Similarity 0.7391 NPC3371
Intermediate Similarity 0.7391 NPC274678
Intermediate Similarity 0.7391 NPC32714
Intermediate Similarity 0.7391 NPC8392
Intermediate Similarity 0.7391 NPC26244
Intermediate Similarity 0.7375 NPC100980
Intermediate Similarity 0.7368 NPC471578
Intermediate Similarity 0.7368 NPC101025
Intermediate Similarity 0.7363 NPC181709
Intermediate Similarity 0.7342 NPC155429
Intermediate Similarity 0.734 NPC171843
Intermediate Similarity 0.7333 NPC317645
Intermediate Similarity 0.7333 NPC151764
Intermediate Similarity 0.7333 NPC119631
Intermediate Similarity 0.732 NPC154899
Intermediate Similarity 0.732 NPC243601
Intermediate Similarity 0.732 NPC472919
Intermediate Similarity 0.732 NPC211551
Intermediate Similarity 0.732 NPC471133
Intermediate Similarity 0.732 NPC233396
Intermediate Similarity 0.732 NPC471350
Intermediate Similarity 0.732 NPC8302
Intermediate Similarity 0.7312 NPC312132
Intermediate Similarity 0.7312 NPC202986
Intermediate Similarity 0.7312 NPC33168
Intermediate Similarity 0.7312 NPC259512
Intermediate Similarity 0.7312 NPC253423
Intermediate Similarity 0.7312 NPC473388
Intermediate Similarity 0.7294 NPC323103
Intermediate Similarity 0.7294 NPC103387
Intermediate Similarity 0.7284 NPC32203
Intermediate Similarity 0.7284 NPC206800
Intermediate Similarity 0.7283 NPC32977
Intermediate Similarity 0.7283 NPC81010

Drug Structure

External Identifiers

TTD   DNAP001703
DrugBank   DB06770
ChEMBL   CHEMBL720
IUPHAR/BPS  
PharmaGKB   PA448594
KEGG Drug   D00077
PubChem CID   244
ChEBI   17987
CAS Number  100-51-6

Drug Properties

Molecular Weight  108.06
ALogP  -0.4487
MLogP  2.12
XLogP  2.409
HDA  1
HBD  1
Rotatable Bonds  2
TPSA  20.23
RO5 Violation  0