Drug Information

Drug ID:  NPD1157
Drug Name:  Hexachlorophene
Molecular Formula:  C13H6Cl6O2
Canonical SMILES:  Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl
Standard InCHI:  InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2
Standard InCHIKey:  ACGUYXCXAPNIKK-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1157

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
Intermediate Similarity 0.8175 NPC42644
Intermediate Similarity 0.8049 NPC244403
Intermediate Similarity 0.7886 NPC91452
Intermediate Similarity 0.7669 NPC26576
Intermediate Similarity 0.7623 NPC146096
Intermediate Similarity 0.7556 NPC246991
Intermediate Similarity 0.7518 NPC139335
Intermediate Similarity 0.7463 NPC8058
Intermediate Similarity 0.7426 NPC185313
Intermediate Similarity 0.7343 NPC131379
Intermediate Similarity 0.7304 NPC63479
Intermediate Similarity 0.7222 NPC43411
Intermediate Similarity 0.7185 NPC33402
Intermediate Similarity 0.7171 NPC56379
Intermediate Similarity 0.7068 NPC67791
Intermediate Similarity 0.7045 NPC15350
Intermediate Similarity 0.7034 NPC174048
Intermediate Similarity 0.7034 NPC322888
Remote Similarity 0.6831 NPC193334
Remote Similarity 0.6797 NPC187958
Remote Similarity 0.6783 NPC76453
Remote Similarity 0.6777 NPC128062
Remote Similarity 0.6713 NPC320819
Remote Similarity 0.6694 NPC271440
Remote Similarity 0.6614 NPC102216
Remote Similarity 0.6614 NPC119860
Remote Similarity 0.6612 NPC45040
Remote Similarity 0.6589 NPC175931
Remote Similarity 0.6562 NPC99557
Remote Similarity 0.6562 NPC219286
Remote Similarity 0.6562 NPC474839
Remote Similarity 0.6547 NPC122175
Remote Similarity 0.6528 NPC30390
Remote Similarity 0.6522 NPC205213
Remote Similarity 0.6512 NPC248904
Remote Similarity 0.6504 NPC151715
Remote Similarity 0.6471 NPC155393
Remote Similarity 0.6467 NPC252901
Remote Similarity 0.6457 NPC100340
Remote Similarity 0.6457 NPC143659
Remote Similarity 0.6457 NPC12221
Remote Similarity 0.6454 NPC235370
Remote Similarity 0.6452 NPC274678
Remote Similarity 0.6452 NPC26244
Remote Similarity 0.6443 NPC475423
Remote Similarity 0.6441 NPC38459
Remote Similarity 0.6441 NPC33756
Remote Similarity 0.6429 NPC151237
Remote Similarity 0.6417 NPC407
Remote Similarity 0.6417 NPC307235
Remote Similarity 0.6412 NPC63698
Remote Similarity 0.6412 NPC95344
Remote Similarity 0.6412 NPC174981
Remote Similarity 0.6412 NPC61885
Remote Similarity 0.6406 NPC168829
Remote Similarity 0.64 NPC473388
Remote Similarity 0.6371 NPC76938
Remote Similarity 0.6364 NPC19808
Remote Similarity 0.6364 NPC473372
Remote Similarity 0.6364 NPC33728
Remote Similarity 0.6357 NPC241891
Remote Similarity 0.6357 NPC288411
Remote Similarity 0.6357 NPC30506
Remote Similarity 0.6349 NPC156313
Remote Similarity 0.6341 NPC306074
Remote Similarity 0.6328 NPC51015
Remote Similarity 0.632 NPC32714
Remote Similarity 0.6319 NPC32715
Remote Similarity 0.6319 NPC98200
Remote Similarity 0.6316 NPC471487
Remote Similarity 0.6316 NPC475018
Remote Similarity 0.6311 NPC70436
Remote Similarity 0.6308 NPC138942
Remote Similarity 0.6308 NPC134829
Remote Similarity 0.6308 NPC246056
Remote Similarity 0.6308 NPC292452
Remote Similarity 0.6299 NPC80027
Remote Similarity 0.6299 NPC216468
Remote Similarity 0.6299 NPC51333
Remote Similarity 0.6299 NPC132078
Remote Similarity 0.6299 NPC92730
Remote Similarity 0.6299 NPC78119
Remote Similarity 0.6279 NPC233827
Remote Similarity 0.6279 NPC168393
Remote Similarity 0.627 NPC82664
Remote Similarity 0.627 NPC132271
Remote Similarity 0.627 NPC216520
Remote Similarity 0.627 NPC292730
Remote Similarity 0.6269 NPC165770
Remote Similarity 0.6269 NPC151537
Remote Similarity 0.6269 NPC225679
Remote Similarity 0.6269 NPC224527
Remote Similarity 0.6269 NPC476632
Remote Similarity 0.6269 NPC4493
Remote Similarity 0.626 NPC118286
Remote Similarity 0.626 NPC39664
Remote Similarity 0.626 NPC302681
Remote Similarity 0.626 NPC39097
Remote Similarity 0.626 NPC54765
Remote Similarity 0.626 NPC470700
Remote Similarity 0.626 NPC109691
Remote Similarity 0.625 NPC237517
Remote Similarity 0.625 NPC213730
Remote Similarity 0.625 NPC130103
Remote Similarity 0.625 NPC294741
Remote Similarity 0.625 NPC286904
Remote Similarity 0.625 NPC91204
Remote Similarity 0.625 NPC111723
Remote Similarity 0.6241 NPC14287
Remote Similarity 0.6241 NPC202647
Remote Similarity 0.624 NPC289769
Remote Similarity 0.624 NPC152415
Remote Similarity 0.6231 NPC227458
Remote Similarity 0.6231 NPC244513
Remote Similarity 0.6231 NPC218879
Remote Similarity 0.6231 NPC238696
Remote Similarity 0.6224 NPC174729
Remote Similarity 0.6222 NPC43525
Remote Similarity 0.6222 NPC166995
Remote Similarity 0.622 NPC225464
Remote Similarity 0.622 NPC291789
Remote Similarity 0.6212 NPC54844
Remote Similarity 0.621 NPC204210
Remote Similarity 0.6202 NPC7686
Remote Similarity 0.6202 NPC40258
Remote Similarity 0.6202 NPC91461
Remote Similarity 0.6197 NPC27198
Remote Similarity 0.6194 NPC200207
Remote Similarity 0.619 NPC8392
Remote Similarity 0.619 NPC313650
Remote Similarity 0.619 NPC144682
Remote Similarity 0.619 NPC48909
Remote Similarity 0.6183 NPC37802
Remote Similarity 0.6179 NPC242240
Remote Similarity 0.6179 NPC123273
Remote Similarity 0.6179 NPC318325
Remote Similarity 0.6179 NPC258219
Remote Similarity 0.6176 NPC261343
Remote Similarity 0.6176 NPC23804
Remote Similarity 0.6176 NPC471488
Remote Similarity 0.6176 NPC117846
Remote Similarity 0.6172 NPC128723
Remote Similarity 0.6169 NPC182475
Remote Similarity 0.6165 NPC262365
Remote Similarity 0.6154 NPC135784
Remote Similarity 0.6148 NPC23167
Remote Similarity 0.6142 NPC259512
Remote Similarity 0.6142 NPC312132
Remote Similarity 0.614 NPC470422
Remote Similarity 0.6139 NPC477569
Remote Similarity 0.6136 NPC99836
Remote Similarity 0.6136 NPC201662
Remote Similarity 0.6136 NPC271274
Remote Similarity 0.6136 NPC67250
Remote Similarity 0.6136 NPC469913
Remote Similarity 0.6136 NPC12640
Remote Similarity 0.6131 NPC12656
Remote Similarity 0.6131 NPC249270
Remote Similarity 0.6131 NPC473137
Remote Similarity 0.6131 NPC107240
Remote Similarity 0.6129 NPC300017
Remote Similarity 0.6129 NPC300478
Remote Similarity 0.6129 NPC47950
Remote Similarity 0.6129 NPC192
Remote Similarity 0.6124 NPC48730
Remote Similarity 0.6124 NPC161571
Remote Similarity 0.6124 NPC10588
Remote Similarity 0.6124 NPC248573
Remote Similarity 0.6124 NPC174911
Remote Similarity 0.6124 NPC129373
Remote Similarity 0.6124 NPC72729
Remote Similarity 0.6124 NPC248396
Remote Similarity 0.6124 NPC275053
Remote Similarity 0.6119 NPC265211
Remote Similarity 0.6119 NPC299568
Remote Similarity 0.6119 NPC306045
Remote Similarity 0.6119 NPC186385
Remote Similarity 0.6116 NPC175313
Remote Similarity 0.6111 NPC245187
Remote Similarity 0.6107 NPC120693
Remote Similarity 0.6107 NPC261573
Remote Similarity 0.6107 NPC8931
Remote Similarity 0.6107 NPC323810
Remote Similarity 0.6107 NPC471511
Remote Similarity 0.6098 NPC25493
Remote Similarity 0.6098 NPC113460
Remote Similarity 0.6098 NPC27974
Remote Similarity 0.6094 NPC79241
Remote Similarity 0.6094 NPC32674
Remote Similarity 0.6094 NPC152097
Remote Similarity 0.6094 NPC6597
Remote Similarity 0.6094 NPC77492
Remote Similarity 0.609 NPC158253
Remote Similarity 0.609 NPC204901
Remote Similarity 0.609 NPC232523
Remote Similarity 0.609 NPC320439
Remote Similarity 0.609 NPC141523
Remote Similarity 0.6087 NPC246760
Remote Similarity 0.6087 NPC232165
Remote Similarity 0.6087 NPC808

Drug Structure

External Identifiers

TTD   DAP001050
DrugBank   DB00756
ChEMBL   CHEMBL496
IUPHAR/BPS  
PharmaGKB   PA449871
KEGG Drug   D00859
PubChem CID   3598
ChEBI   5693
CAS Number  70-30-4

Drug Properties

Molecular Weight  403.85
ALogP  4.0014
MLogP  2.01
XLogP  3.768
HDA  0
HBD  2
Rotatable Bonds  10
TPSA  40.46
RO5 Violation  0