Drug Information

Drug ID:  NPD1076
Drug Name:  Cloforex
Molecular Formula:  C13H18ClNO2
Canonical SMILES:  CCOC(=NC(Cc1ccc(cc1)Cl)(C)C)O
Standard InCHI:  InChI=1S/C13H18ClNO2/c1-4-17-12(16)15-13(2,3)9-10-5-7-11(14)8-6-10/h5-8H,4,9H2,1-3H3,(H,15,16)
Standard InCHIKey:  TZWKUQDQKPYNLL-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1076

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 0.7677 NPC245259
Intermediate Similarity 0.7619 NPC471310
Intermediate Similarity 0.72 NPC12429
Intermediate Similarity 0.7156 NPC474559
Intermediate Similarity 0.7083 NPC309279
Intermediate Similarity 0.7063 NPC313352
Intermediate Similarity 0.7043 NPC471318
Intermediate Similarity 0.7 NPC313810
Remote Similarity 0.6952 NPC58674
Remote Similarity 0.6842 NPC313981
Remote Similarity 0.6765 NPC471638
Remote Similarity 0.6765 NPC473031
Remote Similarity 0.6667 NPC203076
Remote Similarity 0.6636 NPC161972
Remote Similarity 0.6636 NPC303045
Remote Similarity 0.6635 NPC470877
Remote Similarity 0.66 NPC14326
Remote Similarity 0.6574 NPC25565
Remote Similarity 0.6571 NPC141139
Remote Similarity 0.6571 NPC159178
Remote Similarity 0.6571 NPC209764
Remote Similarity 0.6571 NPC121872
Remote Similarity 0.6571 NPC78041
Remote Similarity 0.6571 NPC74936
Remote Similarity 0.6571 NPC471307
Remote Similarity 0.6571 NPC316108
Remote Similarity 0.6569 NPC3210
Remote Similarity 0.6526 NPC244738
Remote Similarity 0.6514 NPC473501
Remote Similarity 0.6514 NPC475439
Remote Similarity 0.6509 NPC226438
Remote Similarity 0.6486 NPC469457
Remote Similarity 0.646 NPC88267
Remote Similarity 0.646 NPC224610
Remote Similarity 0.646 NPC113326
Remote Similarity 0.646 NPC194390
Remote Similarity 0.6415 NPC78154
Remote Similarity 0.6396 NPC12730
Remote Similarity 0.6389 NPC471309
Remote Similarity 0.6379 NPC77294
Remote Similarity 0.6364 NPC311242
Remote Similarity 0.6333 NPC113099
Remote Similarity 0.629 NPC317564
Remote Similarity 0.6289 NPC122327
Remote Similarity 0.6289 NPC112609
Remote Similarity 0.6289 NPC113000
Remote Similarity 0.6277 NPC78954
Remote Similarity 0.6277 NPC239931
Remote Similarity 0.6277 NPC82770
Remote Similarity 0.6263 NPC290638
Remote Similarity 0.6262 NPC172128
Remote Similarity 0.6261 NPC211551
Remote Similarity 0.625 NPC208302
Remote Similarity 0.6226 NPC325441
Remote Similarity 0.6224 NPC276699
Remote Similarity 0.6207 NPC327481
Remote Similarity 0.62 NPC224544
Remote Similarity 0.6195 NPC214200
Remote Similarity 0.6195 NPC228400
Remote Similarity 0.6176 NPC231986
Remote Similarity 0.6162 NPC139658
Remote Similarity 0.6162 NPC175393
Remote Similarity 0.6162 NPC271642
Remote Similarity 0.6154 NPC210849
Remote Similarity 0.6146 NPC229235
Remote Similarity 0.6139 NPC469894
Remote Similarity 0.6139 NPC170484
Remote Similarity 0.6129 NPC310467
Remote Similarity 0.6126 NPC471320
Remote Similarity 0.6126 NPC471319
Remote Similarity 0.6122 NPC108218
Remote Similarity 0.6122 NPC299134
Remote Similarity 0.6117 NPC73637
Remote Similarity 0.6117 NPC121478
Remote Similarity 0.6117 NPC323103
Remote Similarity 0.6117 NPC103387
Remote Similarity 0.6116 NPC474544
Remote Similarity 0.6116 NPC1986
Remote Similarity 0.6111 NPC258627
Remote Similarity 0.61 NPC98269
Remote Similarity 0.61 NPC325662
Remote Similarity 0.6095 NPC475710
Remote Similarity 0.6087 NPC202613
Remote Similarity 0.6087 NPC471317
Remote Similarity 0.6087 NPC164859
Remote Similarity 0.6082 NPC155429
Remote Similarity 0.6078 NPC184030
Remote Similarity 0.6078 NPC192623
Remote Similarity 0.6078 NPC164449
Remote Similarity 0.6078 NPC121800
Remote Similarity 0.6075 NPC262393
Remote Similarity 0.6068 NPC191215
Remote Similarity 0.6068 NPC274089
Remote Similarity 0.6061 NPC98976
Remote Similarity 0.6061 NPC189371
Remote Similarity 0.6058 NPC474088
Remote Similarity 0.6058 NPC270507
Remote Similarity 0.6058 NPC477770
Remote Similarity 0.6048 NPC169328
Remote Similarity 0.6032 NPC80150
Remote Similarity 0.6032 NPC190663
Remote Similarity 0.6019 NPC242628
Remote Similarity 0.6019 NPC303245
Remote Similarity 0.6018 NPC164514
Remote Similarity 0.6018 NPC290515
Remote Similarity 0.6018 NPC303611
Remote Similarity 0.6018 NPC322598
Remote Similarity 0.6018 NPC108606
Remote Similarity 0.6018 NPC226096
Remote Similarity 0.6016 NPC197470
Remote Similarity 0.6 NPC320656
Remote Similarity 0.6 NPC65873
Remote Similarity 0.6 NPC304538
Remote Similarity 0.6 NPC212114
Remote Similarity 0.6 NPC120441
Remote Similarity 0.6 NPC265521
Remote Similarity 0.6 NPC267704
Remote Similarity 0.6 NPC237420
Remote Similarity 0.6 NPC300345
Remote Similarity 0.5981 NPC198747
Remote Similarity 0.598 NPC167577
Remote Similarity 0.598 NPC78517
Remote Similarity 0.5978 NPC150196
Remote Similarity 0.5978 NPC200624
Remote Similarity 0.5978 NPC248705
Remote Similarity 0.5978 NPC135924
Remote Similarity 0.5978 NPC54368
Remote Similarity 0.5968 NPC2265
Remote Similarity 0.5957 NPC32312
Remote Similarity 0.5957 NPC198023
Remote Similarity 0.5957 NPC155172
Remote Similarity 0.5948 NPC178902
Remote Similarity 0.5946 NPC474974
Remote Similarity 0.5943 NPC99482
Remote Similarity 0.5941 NPC3672
Remote Similarity 0.5941 NPC298023
Remote Similarity 0.5941 NPC287790
Remote Similarity 0.5938 NPC160493
Remote Similarity 0.5932 NPC231705
Remote Similarity 0.5929 NPC122493
Remote Similarity 0.5929 NPC10781
Remote Similarity 0.5929 NPC293628
Remote Similarity 0.5929 NPC325499
Remote Similarity 0.5922 NPC157055
Remote Similarity 0.5918 NPC326200
Remote Similarity 0.5917 NPC292758
Remote Similarity 0.5917 NPC65855
Remote Similarity 0.5914 NPC29680
Remote Similarity 0.5909 NPC101372
Remote Similarity 0.5906 NPC477061
Remote Similarity 0.5906 NPC478015
Remote Similarity 0.5906 NPC45777
Remote Similarity 0.5906 NPC478014
Remote Similarity 0.5906 NPC478016
Remote Similarity 0.5905 NPC44830
Remote Similarity 0.5905 NPC119677
Remote Similarity 0.5902 NPC474584
Remote Similarity 0.5902 NPC273814
Remote Similarity 0.59 NPC32203
Remote Similarity 0.59 NPC206800
Remote Similarity 0.5897 NPC147000
Remote Similarity 0.5897 NPC226778
Remote Similarity 0.5897 NPC304761
Remote Similarity 0.5897 NPC150254
Remote Similarity 0.5895 NPC178527
Remote Similarity 0.5893 NPC20142
Remote Similarity 0.5893 NPC215351
Remote Similarity 0.5893 NPC108339
Remote Similarity 0.5889 NPC269586
Remote Similarity 0.5889 NPC198841
Remote Similarity 0.5887 NPC188010
Remote Similarity 0.5882 NPC50192
Remote Similarity 0.5882 NPC12857
Remote Similarity 0.5882 NPC76455
Remote Similarity 0.5882 NPC137847
Remote Similarity 0.5882 NPC142297
Remote Similarity 0.5882 NPC176228
Remote Similarity 0.5876 NPC169222
Remote Similarity 0.5876 NPC235059
Remote Similarity 0.5876 NPC16190
Remote Similarity 0.5873 NPC228515
Remote Similarity 0.5873 NPC314992
Remote Similarity 0.5872 NPC1793
Remote Similarity 0.587 NPC147062
Remote Similarity 0.5868 NPC474149
Remote Similarity 0.5868 NPC319579
Remote Similarity 0.5865 NPC307456
Remote Similarity 0.5865 NPC89950
Remote Similarity 0.5862 NPC327226
Remote Similarity 0.5862 NPC329375
Remote Similarity 0.5859 NPC271437
Remote Similarity 0.5856 NPC323164
Remote Similarity 0.5856 NPC473661
Remote Similarity 0.5851 NPC88566
Remote Similarity 0.5851 NPC45756
Remote Similarity 0.5851 NPC50266
Remote Similarity 0.5847 NPC67043
Remote Similarity 0.5841 NPC30361
Remote Similarity 0.5841 NPC317400
Remote Similarity 0.5833 NPC182549

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  255.10
ALogP  2.4815
MLogP  2.45
XLogP  4.087
HDA  3
HBD  1
Rotatable Bonds  10
TPSA  41.82
RO5 Violation  0