Drug Information

Drug ID:  NPD1475
Drug Name:  Chlorophenothane
Molecular Formula:  C14H9Cl5
Canonical SMILES:  ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl
Standard InCHI:  InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H
Standard InCHIKey:  YVGGHNCTFXOJCH-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1475

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 0.7838 NPC113670
Intermediate Similarity 0.7808 NPC246588
Intermediate Similarity 0.7568 NPC135924
Intermediate Similarity 0.7534 NPC36357
Intermediate Similarity 0.7534 NPC114327
Intermediate Similarity 0.7532 NPC267443
Intermediate Similarity 0.75 NPC291066
Intermediate Similarity 0.7467 NPC71009
Intermediate Similarity 0.7467 NPC22786
Intermediate Similarity 0.7368 NPC88566
Intermediate Similarity 0.7342 NPC213570
Intermediate Similarity 0.7342 NPC246822
Intermediate Similarity 0.7342 NPC139416
Intermediate Similarity 0.7342 NPC473206
Intermediate Similarity 0.7333 NPC200624
Intermediate Similarity 0.7273 NPC32312
Intermediate Similarity 0.7273 NPC198023
Intermediate Similarity 0.7273 NPC155172
Intermediate Similarity 0.726 NPC198841
Intermediate Similarity 0.725 NPC251490
Intermediate Similarity 0.725 NPC263385
Intermediate Similarity 0.725 NPC72670
Intermediate Similarity 0.7237 NPC200745
Intermediate Similarity 0.7237 NPC29680
Intermediate Similarity 0.7162 NPC300345
Intermediate Similarity 0.7162 NPC212114
Intermediate Similarity 0.7162 NPC120441
Intermediate Similarity 0.7162 NPC65873
Intermediate Similarity 0.716 NPC158028
Intermediate Similarity 0.716 NPC193578
Intermediate Similarity 0.716 NPC87099
Intermediate Similarity 0.716 NPC226999
Intermediate Similarity 0.716 NPC280135
Intermediate Similarity 0.716 NPC1008
Intermediate Similarity 0.716 NPC39799
Intermediate Similarity 0.716 NPC135433
Intermediate Similarity 0.7143 NPC45756
Intermediate Similarity 0.7123 NPC149436
Intermediate Similarity 0.7105 NPC210849
Intermediate Similarity 0.7105 NPC248705
Intermediate Similarity 0.7105 NPC238023
Intermediate Similarity 0.7105 NPC150196
Intermediate Similarity 0.7105 NPC310758
Intermediate Similarity 0.7105 NPC54368
Intermediate Similarity 0.7073 NPC54269
Intermediate Similarity 0.7073 NPC1901
Intermediate Similarity 0.7067 NPC119076
Intermediate Similarity 0.7067 NPC18259
Intermediate Similarity 0.7027 NPC269586
Intermediate Similarity 0.7013 NPC66517
Remote Similarity 0.6988 NPC96835
Remote Similarity 0.6988 NPC258492
Remote Similarity 0.6974 NPC147062
Remote Similarity 0.6962 NPC178527
Remote Similarity 0.6962 NPC36440
Remote Similarity 0.6923 NPC21211
Remote Similarity 0.6905 NPC307195
Remote Similarity 0.6892 NPC277704
Remote Similarity 0.6883 NPC134584
Remote Similarity 0.6875 NPC6107
Remote Similarity 0.6842 NPC8235
Remote Similarity 0.6842 NPC64270
Remote Similarity 0.6835 NPC264470
Remote Similarity 0.6832 NPC474559
Remote Similarity 0.6782 NPC159661
Remote Similarity 0.6753 NPC169110
Remote Similarity 0.675 NPC113837
Remote Similarity 0.675 NPC289915
Remote Similarity 0.6744 NPC3190
Remote Similarity 0.6744 NPC249018
Remote Similarity 0.6707 NPC297358
Remote Similarity 0.6707 NPC5324
Remote Similarity 0.6667 NPC66270
Remote Similarity 0.6667 NPC245896
Remote Similarity 0.6667 NPC255345
Remote Similarity 0.6585 NPC22760
Remote Similarity 0.6552 NPC9796
Remote Similarity 0.6517 NPC315216
Remote Similarity 0.6517 NPC50063
Remote Similarity 0.65 NPC50266
Remote Similarity 0.6471 NPC212463
Remote Similarity 0.6456 NPC45255
Remote Similarity 0.6404 NPC272260
Remote Similarity 0.6364 NPC298023
Remote Similarity 0.6339 NPC320656
Remote Similarity 0.6333 NPC477703
Remote Similarity 0.6333 NPC184030
Remote Similarity 0.6333 NPC164449
Remote Similarity 0.6333 NPC95868
Remote Similarity 0.633 NPC91452
Remote Similarity 0.6329 NPC147578
Remote Similarity 0.631 NPC200936
Remote Similarity 0.6304 NPC125549
Remote Similarity 0.6292 NPC224544
Remote Similarity 0.6292 NPC103488
Remote Similarity 0.6264 NPC12936
Remote Similarity 0.6264 NPC273033
Remote Similarity 0.625 NPC110264
Remote Similarity 0.6237 NPC95429
Remote Similarity 0.6237 NPC133162
Remote Similarity 0.6235 NPC229235
Remote Similarity 0.6235 NPC95289
Remote Similarity 0.6222 NPC151405
Remote Similarity 0.6222 NPC139901
Remote Similarity 0.6216 NPC244403
Remote Similarity 0.6204 NPC313981
Remote Similarity 0.6196 NPC121478
Remote Similarity 0.6196 NPC73637
Remote Similarity 0.619 NPC239931
Remote Similarity 0.619 NPC82770
Remote Similarity 0.619 NPC78954
Remote Similarity 0.619 NPC311343
Remote Similarity 0.618 NPC179726
Remote Similarity 0.6163 NPC208302
Remote Similarity 0.6163 NPC74458
Remote Similarity 0.6154 NPC71664
Remote Similarity 0.6154 NPC17408
Remote Similarity 0.6154 NPC285716
Remote Similarity 0.6154 NPC157055
Remote Similarity 0.6154 NPC471310
Remote Similarity 0.6136 NPC189371
Remote Similarity 0.6136 NPC276699
Remote Similarity 0.6129 NPC273758
Remote Similarity 0.6129 NPC119677
Remote Similarity 0.6118 NPC16190
Remote Similarity 0.6118 NPC235059
Remote Similarity 0.6118 NPC98880
Remote Similarity 0.6118 NPC169222
Remote Similarity 0.6105 NPC148231
Remote Similarity 0.6092 NPC244738
Remote Similarity 0.6092 NPC271437
Remote Similarity 0.6092 NPC285679
Remote Similarity 0.6071 NPC52330
Remote Similarity 0.6042 NPC60408
Remote Similarity 0.6038 NPC474910
Remote Similarity 0.6023 NPC113000
Remote Similarity 0.6023 NPC208075
Remote Similarity 0.6023 NPC112609
Remote Similarity 0.6023 NPC108218
Remote Similarity 0.6023 NPC122327
Remote Similarity 0.6022 NPC475199
Remote Similarity 0.6022 NPC230068
Remote Similarity 0.6022 NPC283012
Remote Similarity 0.6019 NPC146096
Remote Similarity 0.6 NPC475710
Remote Similarity 0.6 NPC290638
Remote Similarity 0.6 NPC99482
Remote Similarity 0.5983 NPC42644
Remote Similarity 0.5979 NPC267262
Remote Similarity 0.5978 NPC328178
Remote Similarity 0.5978 NPC190567
Remote Similarity 0.5977 NPC326200
Remote Similarity 0.5977 NPC155429
Remote Similarity 0.5957 NPC477770
Remote Similarity 0.5957 NPC149263
Remote Similarity 0.5918 NPC113307
Remote Similarity 0.5918 NPC298115
Remote Similarity 0.5918 NPC325709
Remote Similarity 0.5918 NPC418308
Remote Similarity 0.5918 NPC199567
Remote Similarity 0.5918 NPC176858
Remote Similarity 0.5914 NPC242628
Remote Similarity 0.5914 NPC165212
Remote Similarity 0.5914 NPC133050
Remote Similarity 0.5895 NPC169016
Remote Similarity 0.589 NPC11150
Remote Similarity 0.5889 NPC139658
Remote Similarity 0.5876 NPC69057
Remote Similarity 0.5872 NPC77294
Remote Similarity 0.5862 NPC219246
Remote Similarity 0.5859 NPC277277
Remote Similarity 0.5859 NPC26224
Remote Similarity 0.5859 NPC19256
Remote Similarity 0.5859 NPC191444
Remote Similarity 0.5833 NPC123476
Remote Similarity 0.5833 NPC252067
Remote Similarity 0.5825 NPC325499
Remote Similarity 0.5824 NPC245966
Remote Similarity 0.5824 NPC98269
Remote Similarity 0.5824 NPC325662
Remote Similarity 0.5814 NPC181786
Remote Similarity 0.58 NPC125226
Remote Similarity 0.58 NPC103346
Remote Similarity 0.58 NPC220596
Remote Similarity 0.58 NPC470926
Remote Similarity 0.5789 NPC243289
Remote Similarity 0.5789 NPC104070
Remote Similarity 0.5789 NPC208183
Remote Similarity 0.5778 NPC32203
Remote Similarity 0.5778 NPC206800
Remote Similarity 0.5778 NPC98976
Remote Similarity 0.5773 NPC203076
Remote Similarity 0.5773 NPC93843
Remote Similarity 0.5761 NPC36342
Remote Similarity 0.5761 NPC137847
Remote Similarity 0.5761 NPC2785
Remote Similarity 0.5761 NPC76455
Remote Similarity 0.5761 NPC285470
Remote Similarity 0.5758 NPC231591
Remote Similarity 0.5745 NPC231986

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  351.91
ALogP  3.1425
MLogP  2.45
XLogP  7.02
HDA  0
HBD  0
Rotatable Bonds  8
TPSA  0
RO5 Violation  1