Drug Information

Drug ID:  NPD9087
Drug Name:  Phenol
Molecular Formula:  C6H6O
Canonical SMILES:  Oc1ccccc1
Standard InCHI:  InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
Standard InCHIKey:  ISWSIDIOOBJBQZ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9087

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 NPC100980
High Similarity 0.9444 NPC65517
High Similarity 0.9067 NPC204932
High Similarity 0.8947 NPC270094
High Similarity 0.8873 NPC215445
High Similarity 0.8816 NPC4154
High Similarity 0.8608 NPC124436
High Similarity 0.8608 NPC265146
High Similarity 0.8608 NPC33756
High Similarity 0.8608 NPC319826
High Similarity 0.8608 NPC38459
High Similarity 0.85 NPC150837
High Similarity 0.85 NPC248817
High Similarity 0.85 NPC175313
High Similarity 0.85 NPC286904
Intermediate Similarity 0.8421 NPC322285
Intermediate Similarity 0.8395 NPC155393
Intermediate Similarity 0.8395 NPC197783
Intermediate Similarity 0.8293 NPC280254
Intermediate Similarity 0.8293 NPC307235
Intermediate Similarity 0.8293 NPC407
Intermediate Similarity 0.8293 NPC23167
Intermediate Similarity 0.8293 NPC184169
Intermediate Similarity 0.8193 NPC25493
Intermediate Similarity 0.8193 NPC157213
Intermediate Similarity 0.8193 NPC27974
Intermediate Similarity 0.8193 NPC104216
Intermediate Similarity 0.8193 NPC113460
Intermediate Similarity 0.8171 NPC252149
Intermediate Similarity 0.8095 NPC98772
Intermediate Similarity 0.8095 NPC123273
Intermediate Similarity 0.8095 NPC318325
Intermediate Similarity 0.8095 NPC242240
Intermediate Similarity 0.8095 NPC258219
Intermediate Similarity 0.8095 NPC177420
Intermediate Similarity 0.8095 NPC280347
Intermediate Similarity 0.8 NPC300478
Intermediate Similarity 0.8 NPC47950
Intermediate Similarity 0.8 NPC300017
Intermediate Similarity 0.8 NPC55561
Intermediate Similarity 0.8 NPC151764
Intermediate Similarity 0.8 NPC277758
Intermediate Similarity 0.8 NPC192
Intermediate Similarity 0.8 NPC312304
Intermediate Similarity 0.8 NPC288923
Intermediate Similarity 0.7976 NPC19680
Intermediate Similarity 0.7975 NPC124576
Intermediate Similarity 0.7907 NPC155908
Intermediate Similarity 0.7907 NPC304541
Intermediate Similarity 0.7907 NPC204210
Intermediate Similarity 0.7907 NPC306074
Intermediate Similarity 0.7907 NPC45040
Intermediate Similarity 0.7907 NPC174048
Intermediate Similarity 0.7907 NPC231150
Intermediate Similarity 0.7907 NPC322888
Intermediate Similarity 0.7907 NPC270547
Intermediate Similarity 0.7816 NPC147284
Intermediate Similarity 0.7816 NPC29373
Intermediate Similarity 0.7816 NPC306884
Intermediate Similarity 0.7816 NPC162314
Intermediate Similarity 0.7816 NPC138117
Intermediate Similarity 0.7816 NPC3358
Intermediate Similarity 0.7816 NPC55903
Intermediate Similarity 0.7816 NPC94139
Intermediate Similarity 0.7816 NPC271440
Intermediate Similarity 0.7816 NPC325292
Intermediate Similarity 0.7816 NPC210497
Intermediate Similarity 0.7816 NPC181709
Intermediate Similarity 0.7727 NPC81010
Intermediate Similarity 0.7727 NPC27323
Intermediate Similarity 0.7727 NPC32977
Intermediate Similarity 0.7727 NPC16649
Intermediate Similarity 0.7727 NPC114325
Intermediate Similarity 0.7727 NPC152415
Intermediate Similarity 0.7727 NPC245187
Intermediate Similarity 0.7727 NPC316301
Intermediate Similarity 0.7727 NPC76938
Intermediate Similarity 0.7727 NPC151715
Intermediate Similarity 0.7727 NPC128062
Intermediate Similarity 0.7674 NPC70436
Intermediate Similarity 0.764 NPC107522
Intermediate Similarity 0.764 NPC26244
Intermediate Similarity 0.764 NPC32714
Intermediate Similarity 0.764 NPC257182
Intermediate Similarity 0.764 NPC286006
Intermediate Similarity 0.764 NPC246679
Intermediate Similarity 0.764 NPC274678
Intermediate Similarity 0.764 NPC313650
Intermediate Similarity 0.764 NPC8392
Intermediate Similarity 0.7614 NPC295295
Intermediate Similarity 0.7556 NPC312132
Intermediate Similarity 0.7556 NPC82664
Intermediate Similarity 0.7556 NPC259512
Intermediate Similarity 0.7556 NPC292730
Intermediate Similarity 0.7556 NPC202986
Intermediate Similarity 0.7556 NPC216520
Intermediate Similarity 0.7556 NPC283711
Intermediate Similarity 0.7556 NPC132271
Intermediate Similarity 0.7556 NPC473388
Intermediate Similarity 0.7528 NPC289769
Intermediate Similarity 0.75 NPC125306
Intermediate Similarity 0.75 NPC23837
Intermediate Similarity 0.7473 NPC32674
Intermediate Similarity 0.7473 NPC225464
Intermediate Similarity 0.7473 NPC152097
Intermediate Similarity 0.7473 NPC260000
Intermediate Similarity 0.7473 NPC79241
Intermediate Similarity 0.7473 NPC77492
Intermediate Similarity 0.7473 NPC474073
Intermediate Similarity 0.7473 NPC107619
Intermediate Similarity 0.7473 NPC6597
Intermediate Similarity 0.7473 NPC291789
Intermediate Similarity 0.7473 NPC156313
Intermediate Similarity 0.7473 NPC315921
Intermediate Similarity 0.7473 NPC88420
Intermediate Similarity 0.7473 NPC475078
Intermediate Similarity 0.7473 NPC109955
Intermediate Similarity 0.7473 NPC201967
Intermediate Similarity 0.7444 NPC222146
Intermediate Similarity 0.7391 NPC275104
Intermediate Similarity 0.7391 NPC299762
Intermediate Similarity 0.7391 NPC80027
Intermediate Similarity 0.7391 NPC252821
Intermediate Similarity 0.7391 NPC307039
Intermediate Similarity 0.7391 NPC132078
Intermediate Similarity 0.7391 NPC280869
Intermediate Similarity 0.7391 NPC245561
Intermediate Similarity 0.7391 NPC260775
Intermediate Similarity 0.7391 NPC92730
Intermediate Similarity 0.7391 NPC128723
Intermediate Similarity 0.7391 NPC131587
Intermediate Similarity 0.7391 NPC130193
Intermediate Similarity 0.7391 NPC314803
Intermediate Similarity 0.7391 NPC216468
Intermediate Similarity 0.7391 NPC51333
Intermediate Similarity 0.7391 NPC33675
Intermediate Similarity 0.7391 NPC122005
Intermediate Similarity 0.7391 NPC78119
Intermediate Similarity 0.7391 NPC125732
Intermediate Similarity 0.7391 NPC171843
Intermediate Similarity 0.7386 NPC318429
Intermediate Similarity 0.7375 NPC66655
Intermediate Similarity 0.7312 NPC70677
Intermediate Similarity 0.7312 NPC248573
Intermediate Similarity 0.7312 NPC248396
Intermediate Similarity 0.7312 NPC155847
Intermediate Similarity 0.7312 NPC166761
Intermediate Similarity 0.7312 NPC289381
Intermediate Similarity 0.7312 NPC70201
Intermediate Similarity 0.7312 NPC52472
Intermediate Similarity 0.7312 NPC275053
Intermediate Similarity 0.7312 NPC174911
Intermediate Similarity 0.7312 NPC129373
Intermediate Similarity 0.7312 NPC130103
Intermediate Similarity 0.7312 NPC12931
Intermediate Similarity 0.7312 NPC223393
Intermediate Similarity 0.7312 NPC72729
Intermediate Similarity 0.7312 NPC161571
Intermediate Similarity 0.7312 NPC253746
Intermediate Similarity 0.7312 NPC48730
Intermediate Similarity 0.7312 NPC225506
Intermediate Similarity 0.7312 NPC29601
Intermediate Similarity 0.7312 NPC294741
Intermediate Similarity 0.7312 NPC130756
Intermediate Similarity 0.7312 NPC10588
Intermediate Similarity 0.7312 NPC213730
Intermediate Similarity 0.7253 NPC144682
Intermediate Similarity 0.7241 NPC206876
Intermediate Similarity 0.7234 NPC472585
Intermediate Similarity 0.7234 NPC143659
Intermediate Similarity 0.7234 NPC471578
Intermediate Similarity 0.7234 NPC284011
Intermediate Similarity 0.7234 NPC72947
Intermediate Similarity 0.7234 NPC100340
Intermediate Similarity 0.7234 NPC110764
Intermediate Similarity 0.7234 NPC91461
Intermediate Similarity 0.7234 NPC94343
Intermediate Similarity 0.7234 NPC40258
Intermediate Similarity 0.7234 NPC252105
Intermediate Similarity 0.7234 NPC101025
Intermediate Similarity 0.7234 NPC80800
Intermediate Similarity 0.7234 NPC12221
Intermediate Similarity 0.7234 NPC7686
Intermediate Similarity 0.7229 NPC133050
Intermediate Similarity 0.7229 NPC117180
Intermediate Similarity 0.7158 NPC68269
Intermediate Similarity 0.7158 NPC477802
Intermediate Similarity 0.7158 NPC135784
Intermediate Similarity 0.7158 NPC24404
Intermediate Similarity 0.7158 NPC94351
Intermediate Similarity 0.7158 NPC108497
Intermediate Similarity 0.7158 NPC168829
Intermediate Similarity 0.7158 NPC168303
Intermediate Similarity 0.7158 NPC196479
Intermediate Similarity 0.7158 NPC477801
Intermediate Similarity 0.7158 NPC13426
Intermediate Similarity 0.7158 NPC71002
Intermediate Similarity 0.7158 NPC178902
Intermediate Similarity 0.7158 NPC168393
Intermediate Similarity 0.7158 NPC313030

Drug Structure

External Identifiers

TTD  
DrugBank   DB03255
ChEMBL   CHEMBL14060
IUPHAR/BPS  
PharmaGKB   PA450913
KEGG Drug   D00033
PubChem CID  
ChEBI   15882
CAS Number  108-95-2

Drug Properties

Molecular Weight  94.04
ALogP  -0.4603
MLogP  2.01
XLogP  2.044
HDA  0
HBD  1
Rotatable Bonds  1
TPSA  20.23
RO5 Violation  0