Drug Information

Drug ID:  NPD9688
Drug Name:  Chloroxine
Molecular Formula:  C9H5Cl2NO
Canonical SMILES:  Clc1cc(Cl)c2c(c1O)nccc2
Standard InCHI:  InChI=1S/C9H5Cl2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
Standard InCHIKey:  WDFKMLRRRCGAKS-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9688

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 0.8588 NPC473764
High Similarity 0.8588 NPC314940
Intermediate Similarity 0.8232 NPC252590
Intermediate Similarity 0.7638 NPC192315
Intermediate Similarity 0.76 NPC476167
Intermediate Similarity 0.7565 NPC156059
Intermediate Similarity 0.7385 NPC55038
Intermediate Similarity 0.7379 NPC477113
Intermediate Similarity 0.7358 NPC149402
Intermediate Similarity 0.732 NPC478032
Intermediate Similarity 0.7308 NPC477111
Intermediate Similarity 0.7306 NPC184964
Intermediate Similarity 0.7196 NPC118511
Intermediate Similarity 0.7173 NPC44161
Intermediate Similarity 0.7167 NPC60553
Intermediate Similarity 0.7157 NPC220765
Intermediate Similarity 0.7121 NPC204717
Intermediate Similarity 0.7092 NPC42979
Intermediate Similarity 0.7085 NPC314002
Intermediate Similarity 0.7085 NPC42591
Intermediate Similarity 0.7077 NPC224764
Intermediate Similarity 0.707 NPC477110
Intermediate Similarity 0.7062 NPC18348
Intermediate Similarity 0.705 NPC171171
Intermediate Similarity 0.7033 NPC475774
Intermediate Similarity 0.703 NPC144381
Intermediate Similarity 0.7011 NPC220523
Remote Similarity 0.699 NPC203754
Remote Similarity 0.699 NPC90229
Remote Similarity 0.699 NPC150048
Remote Similarity 0.6986 NPC470678
Remote Similarity 0.6963 NPC124542
Remote Similarity 0.6963 NPC471177
Remote Similarity 0.6963 NPC59779
Remote Similarity 0.6961 NPC99666
Remote Similarity 0.6954 NPC96890
Remote Similarity 0.6952 NPC476138
Remote Similarity 0.6952 NPC245816
Remote Similarity 0.6927 NPC230403
Remote Similarity 0.6927 NPC329541
Remote Similarity 0.6912 NPC470799
Remote Similarity 0.6912 NPC8022
Remote Similarity 0.6891 NPC471178
Remote Similarity 0.6878 NPC324149
Remote Similarity 0.6878 NPC63562
Remote Similarity 0.6854 NPC174421
Remote Similarity 0.6847 NPC46580
Remote Similarity 0.684 NPC329708
Remote Similarity 0.684 NPC274291
Remote Similarity 0.684 NPC47059
Remote Similarity 0.684 NPC470500
Remote Similarity 0.684 NPC165349
Remote Similarity 0.684 NPC118832
Remote Similarity 0.684 NPC264166
Remote Similarity 0.6839 NPC97367
Remote Similarity 0.6837 NPC5145
Remote Similarity 0.6827 NPC77555
Remote Similarity 0.6825 NPC211813
Remote Similarity 0.6823 NPC25899
Remote Similarity 0.6816 NPC48938
Remote Similarity 0.6812 NPC326634
Remote Similarity 0.6806 NPC132680
Remote Similarity 0.6806 NPC269919
Remote Similarity 0.6788 NPC48192
Remote Similarity 0.6786 NPC103687
Remote Similarity 0.6786 NPC132631
Remote Similarity 0.678 NPC3715
Remote Similarity 0.6779 NPC222018
Remote Similarity 0.6773 NPC173080
Remote Similarity 0.6761 NPC475070
Remote Similarity 0.6758 NPC142901
Remote Similarity 0.6754 NPC476464
Remote Similarity 0.6753 NPC473057
Remote Similarity 0.6746 NPC267928
Remote Similarity 0.6746 NPC156704
Remote Similarity 0.6736 NPC63338
Remote Similarity 0.6736 NPC131718
Remote Similarity 0.6736 NPC324203
Remote Similarity 0.6736 NPC322976
Remote Similarity 0.6732 NPC230805
Remote Similarity 0.673 NPC45459
Remote Similarity 0.673 NPC315491
Remote Similarity 0.6716 NPC314573
Remote Similarity 0.6701 NPC164664
Remote Similarity 0.6667 NPC477112
Remote Similarity 0.6667 NPC476451
Remote Similarity 0.6667 NPC471312
Remote Similarity 0.6667 NPC102423
Remote Similarity 0.6667 NPC263439
Remote Similarity 0.6667 NPC211187
Remote Similarity 0.6667 NPC476287
Remote Similarity 0.6651 NPC19872
Remote Similarity 0.6651 NPC476124
Remote Similarity 0.6651 NPC476121
Remote Similarity 0.6651 NPC213308
Remote Similarity 0.665 NPC32771
Remote Similarity 0.6649 NPC318935
Remote Similarity 0.6636 NPC53144
Remote Similarity 0.6636 NPC185782
Remote Similarity 0.662 NPC193238
Remote Similarity 0.6619 NPC251090
Remote Similarity 0.6619 NPC242209
Remote Similarity 0.6615 NPC177404
Remote Similarity 0.6606 NPC309845
Remote Similarity 0.6603 NPC307963
Remote Similarity 0.6595 NPC177056
Remote Similarity 0.6595 NPC315348
Remote Similarity 0.6595 NPC32002
Remote Similarity 0.6594 NPC300114
Remote Similarity 0.6591 NPC46358
Remote Similarity 0.6578 NPC470404
Remote Similarity 0.6578 NPC470394
Remote Similarity 0.6578 NPC470403
Remote Similarity 0.6575 NPC256893
Remote Similarity 0.657 NPC296527
Remote Similarity 0.6562 NPC26872
Remote Similarity 0.6558 NPC200836
Remote Similarity 0.6557 NPC212213
Remote Similarity 0.6545 NPC26679
Remote Similarity 0.6538 NPC76748
Remote Similarity 0.6533 NPC256828
Remote Similarity 0.6532 NPC476161
Remote Similarity 0.6528 NPC472259
Remote Similarity 0.652 NPC219963
Remote Similarity 0.652 NPC161887
Remote Similarity 0.652 NPC266551
Remote Similarity 0.6515 NPC41717
Remote Similarity 0.6515 NPC108469
Remote Similarity 0.6514 NPC476157
Remote Similarity 0.651 NPC153769
Remote Similarity 0.6509 NPC224928
Remote Similarity 0.6508 NPC470395
Remote Similarity 0.6507 NPC92111
Remote Similarity 0.6502 NPC72980
Remote Similarity 0.6502 NPC88363
Remote Similarity 0.65 NPC158129
Remote Similarity 0.6495 NPC141353
Remote Similarity 0.6495 NPC234197
Remote Similarity 0.6495 NPC176538
Remote Similarity 0.6495 NPC315957
Remote Similarity 0.649 NPC472289
Remote Similarity 0.6488 NPC133306
Remote Similarity 0.6485 NPC288943
Remote Similarity 0.648 NPC120798
Remote Similarity 0.648 NPC322644
Remote Similarity 0.6468 NPC313791
Remote Similarity 0.6468 NPC88008
Remote Similarity 0.6462 NPC26850
Remote Similarity 0.6456 NPC284678
Remote Similarity 0.6456 NPC207851
Remote Similarity 0.6455 NPC85273
Remote Similarity 0.6453 NPC283152
Remote Similarity 0.6449 NPC128823
Remote Similarity 0.6447 NPC79911
Remote Similarity 0.6444 NPC292958
Remote Similarity 0.6442 NPC66083
Remote Similarity 0.6441 NPC162530
Remote Similarity 0.644 NPC257142
Remote Similarity 0.6438 NPC287208
Remote Similarity 0.6438 NPC171787
Remote Similarity 0.6432 NPC328029
Remote Similarity 0.6429 NPC304926
Remote Similarity 0.6429 NPC476041
Remote Similarity 0.6429 NPC469727
Remote Similarity 0.6425 NPC151489
Remote Similarity 0.6418 NPC253810
Remote Similarity 0.6415 NPC146724
Remote Similarity 0.6414 NPC473312
Remote Similarity 0.6411 NPC242928
Remote Similarity 0.6406 NPC476098
Remote Similarity 0.6404 NPC167908
Remote Similarity 0.6402 NPC239954
Remote Similarity 0.6398 NPC195268
Remote Similarity 0.6398 NPC133140
Remote Similarity 0.6396 NPC112206
Remote Similarity 0.6396 NPC202605
Remote Similarity 0.6396 NPC279918
Remote Similarity 0.6393 NPC283117
Remote Similarity 0.6388 NPC470502
Remote Similarity 0.6387 NPC161292
Remote Similarity 0.6386 NPC474409
Remote Similarity 0.6384 NPC288349
Remote Similarity 0.6378 NPC129721
Remote Similarity 0.6372 NPC287437
Remote Similarity 0.6368 NPC226202
Remote Similarity 0.6368 NPC477610
Remote Similarity 0.6368 NPC266931
Remote Similarity 0.6368 NPC198673
Remote Similarity 0.6364 NPC282231
Remote Similarity 0.6364 NPC224632
Remote Similarity 0.636 NPC470501
Remote Similarity 0.6359 NPC474798
Remote Similarity 0.6359 NPC66815
Remote Similarity 0.6356 NPC473513
Remote Similarity 0.6355 NPC303225
Remote Similarity 0.6355 NPC312872
Remote Similarity 0.6346 NPC20249
Remote Similarity 0.6346 NPC295158
Remote Similarity 0.6345 NPC230869
Remote Similarity 0.6345 NPC477591

Drug Structure

External Identifiers

TTD   DNC011357
DrugBank   DB01243
ChEMBL   CHEMBL1200596
IUPHAR/BPS  
PharmaGKB   PA164754879
KEGG Drug  
PubChem CID   2722
ChEBI   59477
CAS Number  773-76-2

Drug Properties

Molecular Weight  212.97
ALogP  1.0283
MLogP  2.01
XLogP  2.046
HDA  1
HBD  1
Rotatable Bonds  3
TPSA  33.12
RO5 Violation  0