Drug Information

Drug ID:  NPD472
Drug Name:  Amfecloral
Molecular Formula:  C11H12Cl3N
Canonical SMILES:  CC(Cc1ccccc1)/N=C/C(Cl)(Cl)Cl
Standard InCHI:  InChI=1S/C11H12Cl3N/c1-9(15-8-11(12,13)14)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3/b15-8+
Standard InCHIKey:  VBZDETYCYXPOAK-OVCLIPMQSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD472

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 0.8205 NPC244738
Intermediate Similarity 0.8101 NPC113000
Intermediate Similarity 0.8101 NPC122327
Intermediate Similarity 0.8101 NPC112609
Intermediate Similarity 0.7841 NPC12429
Intermediate Similarity 0.7805 NPC98269
Intermediate Similarity 0.7805 NPC325662
Intermediate Similarity 0.7805 NPC290638
Intermediate Similarity 0.7722 NPC229235
Intermediate Similarity 0.7683 NPC139658
Intermediate Similarity 0.7654 NPC299134
Intermediate Similarity 0.7561 NPC98976
Intermediate Similarity 0.7561 NPC276699
Intermediate Similarity 0.747 NPC271642
Intermediate Similarity 0.7442 NPC231986
Intermediate Similarity 0.7333 NPC473031
Intermediate Similarity 0.7294 NPC12857
Intermediate Similarity 0.7284 NPC219246
Intermediate Similarity 0.7283 NPC316108
Intermediate Similarity 0.7222 NPC203076
Intermediate Similarity 0.7204 NPC226438
Intermediate Similarity 0.72 NPC300345
Intermediate Similarity 0.72 NPC120441
Intermediate Similarity 0.72 NPC212114
Intermediate Similarity 0.72 NPC65873
Intermediate Similarity 0.7195 NPC125144
Intermediate Similarity 0.7195 NPC121708
Intermediate Similarity 0.7174 NPC470877
Intermediate Similarity 0.7159 NPC14326
Intermediate Similarity 0.7158 NPC161972
Intermediate Similarity 0.7158 NPC303045
Intermediate Similarity 0.7143 NPC471638
Intermediate Similarity 0.7097 NPC471307
Intermediate Similarity 0.7097 NPC74936
Intermediate Similarity 0.7097 NPC209764
Intermediate Similarity 0.7097 NPC159178
Intermediate Similarity 0.7097 NPC121872
Intermediate Similarity 0.7097 NPC141139
Intermediate Similarity 0.7097 NPC78041
Intermediate Similarity 0.7083 NPC25565
Intermediate Similarity 0.7079 NPC474088
Intermediate Similarity 0.7079 NPC104070
Intermediate Similarity 0.7079 NPC119677
Intermediate Similarity 0.7067 NPC269586
Intermediate Similarity 0.7067 NPC198841
Intermediate Similarity 0.7021 NPC245259
Intermediate Similarity 0.701 NPC475439
Intermediate Similarity 0.701 NPC473501
Remote Similarity 0.6962 NPC50266
Remote Similarity 0.6933 NPC277704
Remote Similarity 0.6933 NPC149436
Remote Similarity 0.6923 NPC135924
Remote Similarity 0.6923 NPC310758
Remote Similarity 0.6923 NPC3210
Remote Similarity 0.6923 NPC54368
Remote Similarity 0.6923 NPC210849
Remote Similarity 0.6923 NPC248705
Remote Similarity 0.6923 NPC150196
Remote Similarity 0.6923 NPC238023
Remote Similarity 0.6883 NPC8235
Remote Similarity 0.6875 NPC471309
Remote Similarity 0.6869 NPC12730
Remote Similarity 0.6842 NPC470926
Remote Similarity 0.6837 NPC472258
Remote Similarity 0.6837 NPC311242
Remote Similarity 0.6835 NPC29680
Remote Similarity 0.6832 NPC471310
Remote Similarity 0.6813 NPC169016
Remote Similarity 0.6804 NPC58674
Remote Similarity 0.6795 NPC169110
Remote Similarity 0.6795 NPC147062
Remote Similarity 0.675 NPC88566
Remote Similarity 0.6747 NPC200936
Remote Similarity 0.6737 NPC78154
Remote Similarity 0.6709 NPC246588
Remote Similarity 0.6709 NPC200624
Remote Similarity 0.6701 NPC7067
Remote Similarity 0.6667 NPC36357
Remote Similarity 0.6667 NPC114327
Remote Similarity 0.6667 NPC258046
Remote Similarity 0.6667 NPC32312
Remote Similarity 0.6667 NPC155172
Remote Similarity 0.6667 NPC198023
Remote Similarity 0.6667 NPC64270
Remote Similarity 0.6625 NPC22786
Remote Similarity 0.6625 NPC66517
Remote Similarity 0.6625 NPC71009
Remote Similarity 0.6602 NPC194390
Remote Similarity 0.6602 NPC88267
Remote Similarity 0.6602 NPC113326
Remote Similarity 0.6602 NPC224610
Remote Similarity 0.6585 NPC178527
Remote Similarity 0.6566 NPC471319
Remote Similarity 0.6566 NPC471320
Remote Similarity 0.6562 NPC172128
Remote Similarity 0.6556 NPC475573
Remote Similarity 0.6556 NPC475289
Remote Similarity 0.6543 NPC113670
Remote Similarity 0.6543 NPC45756
Remote Similarity 0.6543 NPC21211
Remote Similarity 0.6531 NPC291070
Remote Similarity 0.6531 NPC469330
Remote Similarity 0.6531 NPC246757
Remote Similarity 0.6526 NPC325441
Remote Similarity 0.6509 NPC77294
Remote Similarity 0.6506 NPC6107
Remote Similarity 0.6506 NPC267443
Remote Similarity 0.6505 NPC164859
Remote Similarity 0.6477 NPC110264
Remote Similarity 0.6476 NPC327481
Remote Similarity 0.6465 NPC329430
Remote Similarity 0.6463 NPC291066
Remote Similarity 0.6452 NPC133162
Remote Similarity 0.6442 NPC275467
Remote Similarity 0.6436 NPC322598
Remote Similarity 0.6429 NPC473661
Remote Similarity 0.6421 NPC60408
Remote Similarity 0.6421 NPC198747
Remote Similarity 0.642 NPC200745
Remote Similarity 0.6392 NPC258627
Remote Similarity 0.6386 NPC289915
Remote Similarity 0.6386 NPC113837
Remote Similarity 0.6381 NPC211551
Remote Similarity 0.6374 NPC192623
Remote Similarity 0.6364 NPC322040
Remote Similarity 0.6354 NPC30445
Remote Similarity 0.6353 NPC139416
Remote Similarity 0.6353 NPC213570
Remote Similarity 0.6353 NPC246822
Remote Similarity 0.6346 NPC178902
Remote Similarity 0.6346 NPC202613
Remote Similarity 0.6346 NPC471317
Remote Similarity 0.6311 NPC469457
Remote Similarity 0.6311 NPC228400
Remote Similarity 0.6311 NPC214200
Remote Similarity 0.631 NPC52330
Remote Similarity 0.63 NPC108339
Remote Similarity 0.6296 NPC45255
Remote Similarity 0.6286 NPC469974
Remote Similarity 0.6275 NPC164514
Remote Similarity 0.6275 NPC108606
Remote Similarity 0.6275 NPC226096
Remote Similarity 0.6275 NPC290515
Remote Similarity 0.6275 NPC303611
Remote Similarity 0.625 NPC329375
Remote Similarity 0.625 NPC305602
Remote Similarity 0.625 NPC239854
Remote Similarity 0.625 NPC17497
Remote Similarity 0.6235 NPC311343
Remote Similarity 0.6226 NPC474559
Remote Similarity 0.6207 NPC193578
Remote Similarity 0.6207 NPC87099
Remote Similarity 0.6207 NPC280135
Remote Similarity 0.6207 NPC135433
Remote Similarity 0.6207 NPC226999
Remote Similarity 0.6207 NPC158028
Remote Similarity 0.6207 NPC1008
Remote Similarity 0.6207 NPC74458
Remote Similarity 0.6207 NPC39799
Remote Similarity 0.62 NPC71140
Remote Similarity 0.619 NPC36440
Remote Similarity 0.6186 NPC111233
Remote Similarity 0.6186 NPC262393
Remote Similarity 0.6176 NPC122493
Remote Similarity 0.6176 NPC10781
Remote Similarity 0.6176 NPC293628
Remote Similarity 0.6173 NPC147578
Remote Similarity 0.6168 NPC231705
Remote Similarity 0.6163 NPC98880
Remote Similarity 0.6163 NPC473206
Remote Similarity 0.6161 NPC471318
Remote Similarity 0.6154 NPC474582
Remote Similarity 0.6136 NPC212463
Remote Similarity 0.6136 NPC285679
Remote Similarity 0.6136 NPC54269
Remote Similarity 0.6132 NPC147000
Remote Similarity 0.6132 NPC226778
Remote Similarity 0.6132 NPC150254
Remote Similarity 0.6132 NPC304761
Remote Similarity 0.6129 NPC307456
Remote Similarity 0.6126 NPC474584
Remote Similarity 0.6122 NPC176858
Remote Similarity 0.6111 NPC142297
Remote Similarity 0.61 NPC265521
Remote Similarity 0.6095 NPC291610
Remote Similarity 0.6092 NPC251490
Remote Similarity 0.6092 NPC72670
Remote Similarity 0.6092 NPC263385
Remote Similarity 0.6092 NPC95289
Remote Similarity 0.6091 NPC319579
Remote Similarity 0.6082 NPC262295
Remote Similarity 0.6082 NPC53492
Remote Similarity 0.6078 NPC317400
Remote Similarity 0.6075 NPC474695
Remote Similarity 0.6075 NPC473418
Remote Similarity 0.6075 NPC476198
Remote Similarity 0.6075 NPC67043
Remote Similarity 0.6071 NPC35850
Remote Similarity 0.6071 NPC264470
Remote Similarity 0.6071 NPC276949

Drug Structure

External Identifiers

TTD  
DrugBank   DB08924
ChEMBL   CHEMBL2105544
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D02926
PubChem CID  
ChEBI   135924
CAS Number  5581-35-1

Drug Properties

Molecular Weight  263.00
ALogP  1.6052
MLogP  2.23
XLogP  5.866
HDA  1
HBD  0
Rotatable Bonds  8
TPSA  12.36
RO5 Violation  1