Drug Information

Drug ID:  NPD9500
Drug Name:  Chloroxylenol
Molecular Formula:  C8H9ClO
Canonical SMILES:  Oc1cc(C)c(c(c1)C)Cl
Standard InCHI:  InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3
Standard InCHIKey:  OSDLLIBGSJNGJE-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9500

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 0.8737 NPC19680
High Similarity 0.8571 NPC146096
Intermediate Similarity 0.8411 NPC43411
Intermediate Similarity 0.8229 NPC150837
Intermediate Similarity 0.8218 NPC222146
Intermediate Similarity 0.8198 NPC244403
Intermediate Similarity 0.8163 NPC27974
Intermediate Similarity 0.802 NPC147284
Intermediate Similarity 0.802 NPC210497
Intermediate Similarity 0.802 NPC94139
Intermediate Similarity 0.802 NPC55903
Intermediate Similarity 0.802 NPC306884
Intermediate Similarity 0.802 NPC3358
Intermediate Similarity 0.802 NPC162314
Intermediate Similarity 0.8018 NPC91452
Intermediate Similarity 0.8 NPC192
Intermediate Similarity 0.7938 NPC38459
Intermediate Similarity 0.7921 NPC204210
Intermediate Similarity 0.7921 NPC231150
Intermediate Similarity 0.7905 NPC211885
Intermediate Similarity 0.79 NPC70436
Intermediate Similarity 0.789 NPC187958
Intermediate Similarity 0.7863 NPC42644
Intermediate Similarity 0.7857 NPC248817
Intermediate Similarity 0.7788 NPC259512
Intermediate Similarity 0.7788 NPC312132
Intermediate Similarity 0.7778 NPC197783
Intermediate Similarity 0.7767 NPC76938
Intermediate Similarity 0.7767 NPC245187
Intermediate Similarity 0.7757 NPC269212
Intermediate Similarity 0.7757 NPC108497
Intermediate Similarity 0.7755 NPC124436
Intermediate Similarity 0.7755 NPC265146
Intermediate Similarity 0.7745 NPC304541
Intermediate Similarity 0.7745 NPC155908
Intermediate Similarity 0.7723 NPC242240
Intermediate Similarity 0.7723 NPC318325
Intermediate Similarity 0.7723 NPC123273
Intermediate Similarity 0.7723 NPC258219
Intermediate Similarity 0.7714 NPC79241
Intermediate Similarity 0.7714 NPC474073
Intermediate Similarity 0.7714 NPC6597
Intermediate Similarity 0.7714 NPC77492
Intermediate Similarity 0.77 NPC184169
Intermediate Similarity 0.77 NPC407
Intermediate Similarity 0.77 NPC23167
Intermediate Similarity 0.77 NPC307235
Intermediate Similarity 0.7692 NPC8392
Intermediate Similarity 0.7692 NPC274678
Intermediate Similarity 0.7692 NPC32714
Intermediate Similarity 0.7686 NPC8058
Intermediate Similarity 0.7685 NPC272029
Intermediate Similarity 0.7677 NPC175313
Intermediate Similarity 0.7677 NPC286904
Intermediate Similarity 0.767 NPC295295
Intermediate Similarity 0.767 NPC29373
Intermediate Similarity 0.7647 NPC312304
Intermediate Similarity 0.7642 NPC299762
Intermediate Similarity 0.7642 NPC33675
Intermediate Similarity 0.7642 NPC122005
Intermediate Similarity 0.7642 NPC252821
Intermediate Similarity 0.7624 NPC25493
Intermediate Similarity 0.7624 NPC113460
Intermediate Similarity 0.7615 NPC117115
Intermediate Similarity 0.76 NPC155393
Intermediate Similarity 0.7596 NPC289769
Intermediate Similarity 0.7596 NPC27323
Intermediate Similarity 0.7596 NPC152415
Intermediate Similarity 0.7596 NPC316301
Intermediate Similarity 0.7576 NPC33756
Intermediate Similarity 0.7573 NPC306074
Intermediate Similarity 0.757 NPC129373
Intermediate Similarity 0.757 NPC174911
Intermediate Similarity 0.757 NPC225506
Intermediate Similarity 0.757 NPC48730
Intermediate Similarity 0.757 NPC72729
Intermediate Similarity 0.757 NPC248396
Intermediate Similarity 0.7549 NPC280347
Intermediate Similarity 0.7549 NPC98772
Intermediate Similarity 0.7549 NPC177420
Intermediate Similarity 0.7547 NPC475078
Intermediate Similarity 0.7547 NPC152097
Intermediate Similarity 0.7545 NPC21594
Intermediate Similarity 0.7545 NPC469913
Intermediate Similarity 0.7524 NPC257182
Intermediate Similarity 0.7524 NPC107522
Intermediate Similarity 0.7524 NPC144682
Intermediate Similarity 0.7523 NPC238696
Intermediate Similarity 0.75 NPC147310
Intermediate Similarity 0.75 NPC24407
Intermediate Similarity 0.75 NPC294186
Intermediate Similarity 0.75 NPC166313
Intermediate Similarity 0.75 NPC246991
Intermediate Similarity 0.75 NPC11280
Intermediate Similarity 0.75 NPC137415
Intermediate Similarity 0.75 NPC192032
Intermediate Similarity 0.75 NPC477685
Intermediate Similarity 0.75 NPC252105
Intermediate Similarity 0.7477 NPC151477
Intermediate Similarity 0.7477 NPC260775
Intermediate Similarity 0.7477 NPC128723
Intermediate Similarity 0.7476 NPC55561
Intermediate Similarity 0.7453 NPC202986
Intermediate Similarity 0.7451 NPC104216
Intermediate Similarity 0.7431 NPC71002
Intermediate Similarity 0.7431 NPC94351
Intermediate Similarity 0.7431 NPC53051
Intermediate Similarity 0.7431 NPC106396
Intermediate Similarity 0.7431 NPC471228
Intermediate Similarity 0.7431 NPC146798
Intermediate Similarity 0.7431 NPC85479
Intermediate Similarity 0.7431 NPC24404
Intermediate Similarity 0.7431 NPC313030
Intermediate Similarity 0.7431 NPC168303
Intermediate Similarity 0.7431 NPC222522
Intermediate Similarity 0.7431 NPC242342
Intermediate Similarity 0.7431 NPC302219
Intermediate Similarity 0.7431 NPC249828
Intermediate Similarity 0.7431 NPC235762
Intermediate Similarity 0.7411 NPC68260
Intermediate Similarity 0.7411 NPC279887
Intermediate Similarity 0.7407 NPC294741
Intermediate Similarity 0.7407 NPC130756
Intermediate Similarity 0.7407 NPC70677
Intermediate Similarity 0.7407 NPC166761
Intermediate Similarity 0.7407 NPC10588
Intermediate Similarity 0.7407 NPC12931
Intermediate Similarity 0.7404 NPC45040
Intermediate Similarity 0.7404 NPC270547
Intermediate Similarity 0.7404 NPC322888
Intermediate Similarity 0.7395 NPC67791
Intermediate Similarity 0.7387 NPC54765
Intermediate Similarity 0.7383 NPC225464
Intermediate Similarity 0.7383 NPC291789
Intermediate Similarity 0.7383 NPC156313
Intermediate Similarity 0.7383 NPC109955
Intermediate Similarity 0.7383 NPC32674
Intermediate Similarity 0.7364 NPC475580
Intermediate Similarity 0.7364 NPC218879
Intermediate Similarity 0.7364 NPC244513
Intermediate Similarity 0.7364 NPC227458
Intermediate Similarity 0.7364 NPC120719
Intermediate Similarity 0.7364 NPC475225
Intermediate Similarity 0.7358 NPC26244
Intermediate Similarity 0.7345 NPC282855
Intermediate Similarity 0.7345 NPC26013
Intermediate Similarity 0.7345 NPC58865
Intermediate Similarity 0.7339 NPC100340
Intermediate Similarity 0.7339 NPC72947
Intermediate Similarity 0.7339 NPC284011
Intermediate Similarity 0.7339 NPC12221
Intermediate Similarity 0.7339 NPC143659
Intermediate Similarity 0.7339 NPC94343
Intermediate Similarity 0.7339 NPC80800
Intermediate Similarity 0.7333 NPC325292
Intermediate Similarity 0.7333 NPC271440
Intermediate Similarity 0.7333 NPC138117
Intermediate Similarity 0.7333 NPC181709
Intermediate Similarity 0.7323 NPC139335
Intermediate Similarity 0.7315 NPC92730
Intermediate Similarity 0.7315 NPC131587
Intermediate Similarity 0.7308 NPC300017
Intermediate Similarity 0.7297 NPC138942
Intermediate Similarity 0.7297 NPC37802
Intermediate Similarity 0.7297 NPC47284
Intermediate Similarity 0.729 NPC132271
Intermediate Similarity 0.729 NPC473388
Intermediate Similarity 0.729 NPC292730
Intermediate Similarity 0.729 NPC216520
Intermediate Similarity 0.729 NPC82664
Intermediate Similarity 0.7281 NPC13482
Intermediate Similarity 0.7281 NPC132720
Intermediate Similarity 0.7281 NPC208229
Intermediate Similarity 0.7281 NPC224870
Intermediate Similarity 0.7273 NPC196479
Intermediate Similarity 0.7273 NPC168829
Intermediate Similarity 0.7273 NPC14287
Intermediate Similarity 0.7264 NPC128062
Intermediate Similarity 0.7264 NPC151715
Intermediate Similarity 0.7257 NPC95344
Intermediate Similarity 0.7257 NPC11554
Intermediate Similarity 0.7248 NPC275053
Intermediate Similarity 0.7248 NPC130103
Intermediate Similarity 0.7248 NPC223393
Intermediate Similarity 0.7248 NPC161571
Intermediate Similarity 0.7248 NPC248573
Intermediate Similarity 0.7232 NPC12640
Intermediate Similarity 0.7232 NPC201662
Intermediate Similarity 0.7232 NPC271274
Intermediate Similarity 0.7232 NPC310456
Intermediate Similarity 0.7232 NPC155072
Intermediate Similarity 0.7232 NPC53740
Intermediate Similarity 0.7232 NPC99836
Intermediate Similarity 0.7232 NPC477814
Intermediate Similarity 0.7222 NPC88420
Intermediate Similarity 0.7217 NPC469912
Intermediate Similarity 0.7217 NPC476632
Intermediate Similarity 0.7217 NPC95716
Intermediate Similarity 0.7217 NPC225679
Intermediate Similarity 0.7217 NPC260323

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  156.03
ALogP  1.568
MLogP  2.12
XLogP  2.153
HDA  0
HBD  1
Rotatable Bonds  4
TPSA  20.23
RO5 Violation  0