Drug Information

Drug ID:  NPD9251
Drug Name:  Dichlorobenzyl Alcohol
Molecular Formula:  C7H6Cl2O
Canonical SMILES:  OCc1ccc(cc1Cl)Cl
Standard InCHI:  InChI=1S/C7H6Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2
Standard InCHIKey:  DBHODFSFBXJZNY-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9251

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 0.8046 NPC66655
Intermediate Similarity 0.7981 NPC216122
Intermediate Similarity 0.7692 NPC117180
Intermediate Similarity 0.7685 NPC91452
Intermediate Similarity 0.7609 NPC87299
Intermediate Similarity 0.7609 NPC99394
Intermediate Similarity 0.7609 NPC329319
Intermediate Similarity 0.7609 NPC103326
Intermediate Similarity 0.7545 NPC244403
Intermediate Similarity 0.7527 NPC172984
Intermediate Similarity 0.75 NPC324786
Intermediate Similarity 0.7447 NPC304538
Intermediate Similarity 0.7303 NPC108218
Intermediate Similarity 0.7292 NPC93843
Intermediate Similarity 0.7238 NPC291426
Intermediate Similarity 0.7216 NPC211237
Intermediate Similarity 0.7128 NPC133050
Intermediate Similarity 0.7094 NPC42644
Intermediate Similarity 0.7079 NPC208302
Intermediate Similarity 0.7071 NPC1793
Intermediate Similarity 0.7071 NPC199567
Intermediate Similarity 0.7064 NPC146096
Intermediate Similarity 0.703 NPC322888
Intermediate Similarity 0.701 NPC33756
Intermediate Similarity 0.701 NPC38459
Remote Similarity 0.6989 NPC224544
Remote Similarity 0.6979 NPC146703
Remote Similarity 0.6932 NPC78954
Remote Similarity 0.6932 NPC239931
Remote Similarity 0.6932 NPC82770
Remote Similarity 0.6931 NPC300017
Remote Similarity 0.6931 NPC79917
Remote Similarity 0.6931 NPC312304
Remote Similarity 0.6931 NPC47950
Remote Similarity 0.6931 NPC300478
Remote Similarity 0.6907 NPC168855
Remote Similarity 0.69 NPC104216
Remote Similarity 0.6875 NPC283012
Remote Similarity 0.6875 NPC475199
Remote Similarity 0.6863 NPC265521
Remote Similarity 0.6863 NPC128645
Remote Similarity 0.6837 NPC474354
Remote Similarity 0.6796 NPC325292
Remote Similarity 0.6796 NPC138117
Remote Similarity 0.6771 NPC165212
Remote Similarity 0.6768 NPC474211
Remote Similarity 0.6768 NPC286904
Remote Similarity 0.6762 NPC325499
Remote Similarity 0.6757 NPC187958
Remote Similarity 0.6731 NPC215351
Remote Similarity 0.6731 NPC20142
Remote Similarity 0.6701 NPC106313
Remote Similarity 0.67 NPC198747
Remote Similarity 0.67 NPC155393
Remote Similarity 0.6699 NPC174048
Remote Similarity 0.6667 NPC189371
Remote Similarity 0.6667 NPC265146
Remote Similarity 0.6667 NPC313650
Remote Similarity 0.6667 NPC8058
Remote Similarity 0.6667 NPC124436
Remote Similarity 0.6667 NPC328178
Remote Similarity 0.6667 NPC99482
Remote Similarity 0.6667 NPC21959
Remote Similarity 0.6637 NPC43411
Remote Similarity 0.6634 NPC23167
Remote Similarity 0.6634 NPC407
Remote Similarity 0.6634 NPC307235
Remote Similarity 0.6614 NPC139335
Remote Similarity 0.661 NPC15350
Remote Similarity 0.66 NPC150837
Remote Similarity 0.66 NPC175313
Remote Similarity 0.66 NPC248817
Remote Similarity 0.6569 NPC27974
Remote Similarity 0.6569 NPC25493
Remote Similarity 0.6569 NPC113460
Remote Similarity 0.6562 NPC469894
Remote Similarity 0.6542 NPC175852
Remote Similarity 0.6542 NPC226096
Remote Similarity 0.6542 NPC210529
Remote Similarity 0.6542 NPC160548
Remote Similarity 0.6542 NPC88420
Remote Similarity 0.6542 NPC474073
Remote Similarity 0.6542 NPC290515
Remote Similarity 0.6542 NPC303611
Remote Similarity 0.6542 NPC164514
Remote Similarity 0.6542 NPC108606
Remote Similarity 0.6538 NPC314690
Remote Similarity 0.6535 NPC197783
Remote Similarity 0.6508 NPC246991
Remote Similarity 0.6505 NPC123273
Remote Similarity 0.6505 NPC280347
Remote Similarity 0.6505 NPC242240
Remote Similarity 0.6505 NPC177420
Remote Similarity 0.6505 NPC318325
Remote Similarity 0.6505 NPC62765
Remote Similarity 0.6505 NPC258219
Remote Similarity 0.65 NPC58616
Remote Similarity 0.6495 NPC184030
Remote Similarity 0.6495 NPC164449
Remote Similarity 0.6481 NPC78119
Remote Similarity 0.6481 NPC216468
Remote Similarity 0.6481 NPC51333
Remote Similarity 0.6481 NPC132078
Remote Similarity 0.6481 NPC128723
Remote Similarity 0.6471 NPC184169
Remote Similarity 0.6455 NPC471310
Remote Similarity 0.6449 NPC283711
Remote Similarity 0.6442 NPC55561
Remote Similarity 0.6442 NPC192
Remote Similarity 0.6422 NPC213730
Remote Similarity 0.6422 NPC289117
Remote Similarity 0.6422 NPC294741
Remote Similarity 0.6422 NPC228400
Remote Similarity 0.6422 NPC214200
Remote Similarity 0.6422 NPC469481
Remote Similarity 0.6422 NPC130103
Remote Similarity 0.6422 NPC174911
Remote Similarity 0.6395 NPC119076
Remote Similarity 0.6381 NPC231150
Remote Similarity 0.6381 NPC204210
Remote Similarity 0.6381 NPC304541
Remote Similarity 0.6381 NPC306074
Remote Similarity 0.6381 NPC45040
Remote Similarity 0.6378 NPC185313
Remote Similarity 0.6373 NPC89377
Remote Similarity 0.6372 NPC475465
Remote Similarity 0.6372 NPC472314
Remote Similarity 0.6364 NPC91461
Remote Similarity 0.6364 NPC7686
Remote Similarity 0.6364 NPC40258
Remote Similarity 0.6364 NPC110764
Remote Similarity 0.6364 NPC327226
Remote Similarity 0.6364 NPC121478
Remote Similarity 0.6364 NPC67791
Remote Similarity 0.6364 NPC73637
Remote Similarity 0.6355 NPC286006
Remote Similarity 0.6349 NPC26576
Remote Similarity 0.6346 NPC98772
Remote Similarity 0.6346 NPC70436
Remote Similarity 0.633 NPC100870
Remote Similarity 0.633 NPC131587
Remote Similarity 0.6327 NPC192623
Remote Similarity 0.6321 NPC29373
Remote Similarity 0.6321 NPC3358
Remote Similarity 0.6321 NPC210497
Remote Similarity 0.6321 NPC55903
Remote Similarity 0.6321 NPC94139
Remote Similarity 0.6321 NPC271440
Remote Similarity 0.6321 NPC306884
Remote Similarity 0.6321 NPC162314
Remote Similarity 0.6321 NPC147284
Remote Similarity 0.6311 NPC304760
Remote Similarity 0.6306 NPC305205
Remote Similarity 0.6306 NPC19856
Remote Similarity 0.6306 NPC82426
Remote Similarity 0.6306 NPC471228
Remote Similarity 0.6306 NPC235762
Remote Similarity 0.6306 NPC91820
Remote Similarity 0.6306 NPC160382
Remote Similarity 0.6296 NPC289201
Remote Similarity 0.6286 NPC151764
Remote Similarity 0.6262 NPC245187
Remote Similarity 0.6262 NPC128062
Remote Similarity 0.6262 NPC316301
Remote Similarity 0.6262 NPC151715
Remote Similarity 0.6262 NPC76938
Remote Similarity 0.6262 NPC289769
Remote Similarity 0.6262 NPC27323
Remote Similarity 0.6262 NPC152415
Remote Similarity 0.625 NPC304761
Remote Similarity 0.625 NPC147000
Remote Similarity 0.625 NPC226778
Remote Similarity 0.625 NPC315794
Remote Similarity 0.625 NPC242913
Remote Similarity 0.625 NPC173443
Remote Similarity 0.625 NPC323810
Remote Similarity 0.625 NPC200624
Remote Similarity 0.625 NPC280616
Remote Similarity 0.625 NPC150254
Remote Similarity 0.625 NPC249067
Remote Similarity 0.625 NPC475225
Remote Similarity 0.625 NPC12278
Remote Similarity 0.625 NPC220893
Remote Similarity 0.625 NPC19680
Remote Similarity 0.625 NPC171831
Remote Similarity 0.624 NPC33402
Remote Similarity 0.6238 NPC95429
Remote Similarity 0.6226 NPC270547
Remote Similarity 0.6226 NPC155908
Remote Similarity 0.6224 NPC170484
Remote Similarity 0.6216 NPC101025
Remote Similarity 0.6216 NPC471578
Remote Similarity 0.6211 NPC100980
Remote Similarity 0.6204 NPC61944
Remote Similarity 0.6204 NPC32714
Remote Similarity 0.6204 NPC246679
Remote Similarity 0.6204 NPC274678
Remote Similarity 0.6204 NPC3371
Remote Similarity 0.6204 NPC26244
Remote Similarity 0.6204 NPC8392

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  175.98
ALogP  1.0399
MLogP  1.9
XLogP  1.968
HDA  1
HBD  1
Rotatable Bonds  4
TPSA  20.23
RO5 Violation  0