Drug Information

Drug ID:  NPD9073
Drug Name:  Parachlorophenol
Molecular Formula:  C6H5ClO
Canonical SMILES:  Oc1ccc(cc1)Cl
Standard InCHI:  InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
Standard InCHIKey:  WXNZTHHGJRFXKQ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD9073

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 NPC38459
High Similarity 0.9506 NPC33756
High Similarity 0.9186 NPC322888
High Similarity 0.875 NPC174048
High Similarity 0.8608 NPC100980
Intermediate Similarity 0.8193 NPC65517
Intermediate Similarity 0.7907 NPC204932
Intermediate Similarity 0.7816 NPC270094
Intermediate Similarity 0.7701 NPC4154
Intermediate Similarity 0.7683 NPC215445
Intermediate Similarity 0.7556 NPC265146
Intermediate Similarity 0.7556 NPC124436
Intermediate Similarity 0.7556 NPC319826
Intermediate Similarity 0.7473 NPC150837
Intermediate Similarity 0.7473 NPC175313
Intermediate Similarity 0.7473 NPC286904
Intermediate Similarity 0.7473 NPC248817
Intermediate Similarity 0.7404 NPC43411
Intermediate Similarity 0.7391 NPC197783
Intermediate Similarity 0.7391 NPC155393
Intermediate Similarity 0.7379 NPC146096
Intermediate Similarity 0.7356 NPC322285
Intermediate Similarity 0.7312 NPC407
Intermediate Similarity 0.7312 NPC280254
Intermediate Similarity 0.7312 NPC307235
Intermediate Similarity 0.7312 NPC184169
Intermediate Similarity 0.7312 NPC23167
Intermediate Similarity 0.7234 NPC113460
Intermediate Similarity 0.7234 NPC157213
Intermediate Similarity 0.7234 NPC27974
Intermediate Similarity 0.7234 NPC25493
Intermediate Similarity 0.7234 NPC104216
Intermediate Similarity 0.7222 NPC244403
Intermediate Similarity 0.7212 NPC187958
Intermediate Similarity 0.7204 NPC252149
Intermediate Similarity 0.7158 NPC63479
Intermediate Similarity 0.7158 NPC123273
Intermediate Similarity 0.7158 NPC258219
Intermediate Similarity 0.7158 NPC280347
Intermediate Similarity 0.7158 NPC98772
Intermediate Similarity 0.7158 NPC318325
Intermediate Similarity 0.7158 NPC177420
Intermediate Similarity 0.7158 NPC242240
Intermediate Similarity 0.7083 NPC312304
Intermediate Similarity 0.7083 NPC300017
Intermediate Similarity 0.7083 NPC55561
Intermediate Similarity 0.7083 NPC192
Intermediate Similarity 0.7083 NPC288923
Intermediate Similarity 0.7083 NPC151764
Intermediate Similarity 0.7083 NPC300478
Intermediate Similarity 0.7083 NPC47950
Intermediate Similarity 0.7083 NPC277758
Intermediate Similarity 0.7053 NPC19680
Intermediate Similarity 0.7037 NPC91452
Intermediate Similarity 0.701 NPC45040
Intermediate Similarity 0.701 NPC304541
Intermediate Similarity 0.701 NPC231150
Intermediate Similarity 0.701 NPC306074
Intermediate Similarity 0.701 NPC155908
Intermediate Similarity 0.701 NPC270547
Intermediate Similarity 0.701 NPC204210
Intermediate Similarity 0.7 NPC124576
Remote Similarity 0.6991 NPC205213
Remote Similarity 0.6939 NPC94139
Remote Similarity 0.6939 NPC147284
Remote Similarity 0.6939 NPC3358
Remote Similarity 0.6939 NPC29373
Remote Similarity 0.6939 NPC210497
Remote Similarity 0.6939 NPC271440
Remote Similarity 0.6939 NPC306884
Remote Similarity 0.6939 NPC138117
Remote Similarity 0.6939 NPC162314
Remote Similarity 0.6939 NPC325292
Remote Similarity 0.6939 NPC181709
Remote Similarity 0.6939 NPC55903
Remote Similarity 0.693 NPC42644
Remote Similarity 0.6869 NPC81010
Remote Similarity 0.6869 NPC316301
Remote Similarity 0.6869 NPC27323
Remote Similarity 0.6869 NPC151715
Remote Similarity 0.6869 NPC76938
Remote Similarity 0.6869 NPC16649
Remote Similarity 0.6869 NPC114325
Remote Similarity 0.6869 NPC128062
Remote Similarity 0.6869 NPC32977
Remote Similarity 0.6869 NPC152415
Remote Similarity 0.6869 NPC245187
Remote Similarity 0.6804 NPC70436
Remote Similarity 0.68 NPC286006
Remote Similarity 0.68 NPC313650
Remote Similarity 0.68 NPC274678
Remote Similarity 0.68 NPC246679
Remote Similarity 0.68 NPC32714
Remote Similarity 0.68 NPC26244
Remote Similarity 0.68 NPC107522
Remote Similarity 0.68 NPC8392
Remote Similarity 0.68 NPC257182
Remote Similarity 0.6768 NPC295295
Remote Similarity 0.6752 NPC235370
Remote Similarity 0.6733 NPC202986
Remote Similarity 0.6733 NPC283711
Remote Similarity 0.6733 NPC292730
Remote Similarity 0.6733 NPC216520
Remote Similarity 0.6733 NPC82664
Remote Similarity 0.6733 NPC473388
Remote Similarity 0.6733 NPC259512
Remote Similarity 0.6733 NPC312132
Remote Similarity 0.6733 NPC132271
Remote Similarity 0.6726 NPC204617
Remote Similarity 0.6726 NPC15350
Remote Similarity 0.67 NPC289769
Remote Similarity 0.6667 NPC260000
Remote Similarity 0.6667 NPC107619
Remote Similarity 0.6667 NPC474073
Remote Similarity 0.6667 NPC201967
Remote Similarity 0.6667 NPC315921
Remote Similarity 0.6667 NPC156313
Remote Similarity 0.6667 NPC291789
Remote Similarity 0.6667 NPC88420
Remote Similarity 0.6667 NPC225464
Remote Similarity 0.6667 NPC32674
Remote Similarity 0.6667 NPC77492
Remote Similarity 0.6667 NPC6597
Remote Similarity 0.6667 NPC109955
Remote Similarity 0.6667 NPC79241
Remote Similarity 0.6667 NPC475078
Remote Similarity 0.6667 NPC152097
Remote Similarity 0.6639 NPC8058
Remote Similarity 0.6634 NPC222146
Remote Similarity 0.6632 NPC23837
Remote Similarity 0.6632 NPC125306
Remote Similarity 0.6609 NPC67791
Remote Similarity 0.6602 NPC130193
Remote Similarity 0.6602 NPC80027
Remote Similarity 0.6602 NPC131587
Remote Similarity 0.6602 NPC307039
Remote Similarity 0.6602 NPC122005
Remote Similarity 0.6602 NPC299762
Remote Similarity 0.6602 NPC33675
Remote Similarity 0.6602 NPC275104
Remote Similarity 0.6602 NPC78119
Remote Similarity 0.6602 NPC125732
Remote Similarity 0.6602 NPC280869
Remote Similarity 0.6602 NPC171843
Remote Similarity 0.6602 NPC260775
Remote Similarity 0.6602 NPC132078
Remote Similarity 0.6602 NPC314803
Remote Similarity 0.6602 NPC128723
Remote Similarity 0.6602 NPC245561
Remote Similarity 0.6602 NPC92730
Remote Similarity 0.6602 NPC216468
Remote Similarity 0.6602 NPC252821
Remote Similarity 0.6602 NPC51333
Remote Similarity 0.6566 NPC318429
Remote Similarity 0.6538 NPC12931
Remote Similarity 0.6538 NPC129373
Remote Similarity 0.6538 NPC161571
Remote Similarity 0.6538 NPC248396
Remote Similarity 0.6538 NPC248573
Remote Similarity 0.6538 NPC155847
Remote Similarity 0.6538 NPC10588
Remote Similarity 0.6538 NPC289381
Remote Similarity 0.6538 NPC70677
Remote Similarity 0.6538 NPC213730
Remote Similarity 0.6538 NPC29601
Remote Similarity 0.6538 NPC130103
Remote Similarity 0.6538 NPC130756
Remote Similarity 0.6538 NPC48730
Remote Similarity 0.6538 NPC72729
Remote Similarity 0.6538 NPC52472
Remote Similarity 0.6538 NPC253746
Remote Similarity 0.6538 NPC174911
Remote Similarity 0.6538 NPC225506
Remote Similarity 0.6538 NPC166761
Remote Similarity 0.6538 NPC70201
Remote Similarity 0.6538 NPC275053
Remote Similarity 0.6538 NPC294741
Remote Similarity 0.6538 NPC223393
Remote Similarity 0.6491 NPC161768
Remote Similarity 0.6484 NPC66655
Remote Similarity 0.6476 NPC143659
Remote Similarity 0.6476 NPC12221
Remote Similarity 0.6476 NPC472585
Remote Similarity 0.6476 NPC40258
Remote Similarity 0.6476 NPC284011
Remote Similarity 0.6476 NPC101025
Remote Similarity 0.6476 NPC94343
Remote Similarity 0.6476 NPC80800
Remote Similarity 0.6476 NPC100340
Remote Similarity 0.6476 NPC252105
Remote Similarity 0.6476 NPC110764
Remote Similarity 0.6476 NPC471578
Remote Similarity 0.6476 NPC7686
Remote Similarity 0.6476 NPC91461
Remote Similarity 0.6476 NPC72947
Remote Similarity 0.6475 NPC246991
Remote Similarity 0.6471 NPC33402
Remote Similarity 0.6471 NPC144682
Remote Similarity 0.6429 NPC206876
Remote Similarity 0.6415 NPC302219

Drug Structure

External Identifiers

TTD  
DrugBank   DB13154
ChEMBL   CHEMBL57053
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D00149
PubChem CID  
ChEBI   28078
CAS Number  106-48-9

Drug Properties

Molecular Weight  128.00
ALogP  0.284
MLogP  1.9
XLogP  1.929
HDA  0
HBD  1
Rotatable Bonds  2
TPSA  20.23
RO5 Violation  0