Drug Information

Drug ID:  NPD1724
Drug Name:  Fenspiride
Molecular Formula:  C15H20N2O2
Canonical SMILES:  OC1=NCC2(O1)CCN(CC2)CCc1ccccc1
Standard InCHI:  InChI=1S/C15H20N2O2/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18)
Standard InCHIKey:  FVNFBBAOMBJTST-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD1724

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 0.76 NPC245259
Intermediate Similarity 0.7453 NPC329375
Intermediate Similarity 0.72 NPC471638
Intermediate Similarity 0.7172 NPC3210
Intermediate Similarity 0.71 NPC203076
Intermediate Similarity 0.7087 NPC226438
Intermediate Similarity 0.7048 NPC303045
Intermediate Similarity 0.7048 NPC161972
Intermediate Similarity 0.703 NPC305602
Intermediate Similarity 0.703 NPC17497
Remote Similarity 0.699 NPC316108
Remote Similarity 0.697 NPC104070
Remote Similarity 0.6916 NPC472258
Remote Similarity 0.6916 NPC311242
Remote Similarity 0.6887 NPC58674
Remote Similarity 0.6863 NPC473031
Remote Similarity 0.6827 NPC172128
Remote Similarity 0.6822 NPC25565
Remote Similarity 0.6809 NPC244738
Remote Similarity 0.6796 NPC12429
Remote Similarity 0.6771 NPC271642
Remote Similarity 0.6768 NPC231986
Remote Similarity 0.6759 NPC473501
Remote Similarity 0.6759 NPC475439
Remote Similarity 0.6731 NPC470877
Remote Similarity 0.6729 NPC108339
Remote Similarity 0.6726 NPC471447
Remote Similarity 0.6726 NPC45033
Remote Similarity 0.67 NPC14326
Remote Similarity 0.6696 NPC292758
Remote Similarity 0.6696 NPC224610
Remote Similarity 0.6696 NPC88267
Remote Similarity 0.6696 NPC194390
Remote Similarity 0.6696 NPC113326
Remote Similarity 0.6696 NPC65855
Remote Similarity 0.6667 NPC471319
Remote Similarity 0.6667 NPC141139
Remote Similarity 0.6667 NPC121872
Remote Similarity 0.6667 NPC309279
Remote Similarity 0.6667 NPC98976
Remote Similarity 0.6667 NPC159178
Remote Similarity 0.6667 NPC209764
Remote Similarity 0.6667 NPC78041
Remote Similarity 0.6667 NPC471307
Remote Similarity 0.6667 NPC471320
Remote Similarity 0.6667 NPC74936
Remote Similarity 0.6637 NPC473418
Remote Similarity 0.6636 NPC7067
Remote Similarity 0.6636 NPC322040
Remote Similarity 0.6635 NPC325441
Remote Similarity 0.6634 NPC474088
Remote Similarity 0.6609 NPC473676
Remote Similarity 0.6604 NPC470926
Remote Similarity 0.6602 NPC258046
Remote Similarity 0.6598 NPC139658
Remote Similarity 0.6583 NPC315276
Remote Similarity 0.6583 NPC14672
Remote Similarity 0.6583 NPC285926
Remote Similarity 0.6577 NPC469457
Remote Similarity 0.6577 NPC214200
Remote Similarity 0.6577 NPC228400
Remote Similarity 0.6569 NPC169016
Remote Similarity 0.6555 NPC33742
Remote Similarity 0.6545 NPC322598
Remote Similarity 0.6542 NPC473661
Remote Similarity 0.6509 NPC258627
Remote Similarity 0.6504 NPC27833
Remote Similarity 0.6491 NPC167336
Remote Similarity 0.6491 NPC143516
Remote Similarity 0.6486 NPC12730
Remote Similarity 0.6481 NPC474974
Remote Similarity 0.6481 NPC471309
Remote Similarity 0.648 NPC175726
Remote Similarity 0.648 NPC474082
Remote Similarity 0.6471 NPC35850
Remote Similarity 0.6471 NPC276949
Remote Similarity 0.646 NPC164859
Remote Similarity 0.6452 NPC314192
Remote Similarity 0.6446 NPC470544
Remote Similarity 0.6435 NPC327481
Remote Similarity 0.6435 NPC474804
Remote Similarity 0.6435 NPC191215
Remote Similarity 0.6435 NPC274089
Remote Similarity 0.6435 NPC474973
Remote Similarity 0.6435 NPC130898
Remote Similarity 0.6422 NPC256452
Remote Similarity 0.6421 NPC229235
Remote Similarity 0.641 NPC24777
Remote Similarity 0.641 NPC158854
Remote Similarity 0.64 NPC169485
Remote Similarity 0.64 NPC84281
Remote Similarity 0.64 NPC213126
Remote Similarity 0.64 NPC317474
Remote Similarity 0.64 NPC291027
Remote Similarity 0.6393 NPC470545
Remote Similarity 0.6392 NPC299134
Remote Similarity 0.6378 NPC474847
Remote Similarity 0.6364 NPC101139
Remote Similarity 0.6364 NPC197470
Remote Similarity 0.6356 NPC319579
Remote Similarity 0.6348 NPC211551
Remote Similarity 0.6341 NPC220698
Remote Similarity 0.6341 NPC470546
Remote Similarity 0.6321 NPC262393
Remote Similarity 0.6316 NPC471317
Remote Similarity 0.6316 NPC202613
Remote Similarity 0.6311 NPC477770
Remote Similarity 0.6306 NPC33168
Remote Similarity 0.6303 NPC329011
Remote Similarity 0.6303 NPC269340
Remote Similarity 0.63 NPC12857
Remote Similarity 0.6283 NPC155847
Remote Similarity 0.6283 NPC289381
Remote Similarity 0.6273 NPC329430
Remote Similarity 0.627 NPC252878
Remote Similarity 0.6261 NPC275467
Remote Similarity 0.6261 NPC469974
Remote Similarity 0.626 NPC169328
Remote Similarity 0.6241 NPC313352
Remote Similarity 0.624 NPC476990
Remote Similarity 0.624 NPC477061
Remote Similarity 0.624 NPC200964
Remote Similarity 0.624 NPC302169
Remote Similarity 0.624 NPC45777
Remote Similarity 0.624 NPC326232
Remote Similarity 0.6231 NPC469666
Remote Similarity 0.6228 NPC327226
Remote Similarity 0.6224 NPC112609
Remote Similarity 0.6224 NPC113000
Remote Similarity 0.6224 NPC122327
Remote Similarity 0.6222 NPC477557
Remote Similarity 0.622 NPC46427
Remote Similarity 0.621 NPC310467
Remote Similarity 0.621 NPC237420
Remote Similarity 0.6207 NPC67043
Remote Similarity 0.6202 NPC65310
Remote Similarity 0.6198 NPC474544
Remote Similarity 0.6198 NPC1986
Remote Similarity 0.619 NPC202521
Remote Similarity 0.619 NPC71684
Remote Similarity 0.6186 NPC96224
Remote Similarity 0.6186 NPC24101
Remote Similarity 0.6183 NPC69496
Remote Similarity 0.6182 NPC71140
Remote Similarity 0.6179 NPC2265
Remote Similarity 0.6176 NPC239762
Remote Similarity 0.6176 NPC163392
Remote Similarity 0.6174 NPC178902
Remote Similarity 0.6167 NPC275410
Remote Similarity 0.6167 NPC475013
Remote Similarity 0.6165 NPC233910
Remote Similarity 0.6165 NPC245836
Remote Similarity 0.6162 NPC276699
Remote Similarity 0.6161 NPC293628
Remote Similarity 0.6161 NPC122493
Remote Similarity 0.6161 NPC10781
Remote Similarity 0.6154 NPC119677
Remote Similarity 0.6154 NPC231705
Remote Similarity 0.6148 NPC118202
Remote Similarity 0.6148 NPC471264
Remote Similarity 0.6148 NPC471265
Remote Similarity 0.6142 NPC142577
Remote Similarity 0.614 NPC316797
Remote Similarity 0.6126 NPC215351
Remote Similarity 0.6126 NPC20142
Remote Similarity 0.6121 NPC150254
Remote Similarity 0.6121 NPC304761
Remote Similarity 0.6121 NPC226778
Remote Similarity 0.6121 NPC147000
Remote Similarity 0.6116 NPC474584
Remote Similarity 0.6116 NPC273814
Remote Similarity 0.6111 NPC321133
Remote Similarity 0.6103 NPC178662
Remote Similarity 0.6103 NPC92784
Remote Similarity 0.6103 NPC98424
Remote Similarity 0.6103 NPC470884
Remote Similarity 0.6103 NPC476133
Remote Similarity 0.6102 NPC142297
Remote Similarity 0.6094 NPC6975
Remote Similarity 0.6094 NPC283130
Remote Similarity 0.6094 NPC328683
Remote Similarity 0.6091 NPC265521
Remote Similarity 0.6087 NPC239854
Remote Similarity 0.6087 NPC291610
Remote Similarity 0.6082 NPC219246
Remote Similarity 0.608 NPC264580
Remote Similarity 0.608 NPC314992
Remote Similarity 0.6071 NPC3371
Remote Similarity 0.6071 NPC317400
Remote Similarity 0.6068 NPC476198
Remote Similarity 0.6066 NPC476048
Remote Similarity 0.6055 NPC78154
Remote Similarity 0.605 NPC153690
Remote Similarity 0.6048 NPC239357
Remote Similarity 0.6048 NPC82963
Remote Similarity 0.6047 NPC307020
Remote Similarity 0.604 NPC325662
Remote Similarity 0.604 NPC290638
Remote Similarity 0.604 NPC98269
Remote Similarity 0.6034 NPC471310

Drug Structure

External Identifiers

TTD   DIB001249
DrugBank   DB08979
ChEMBL   CHEMBL576127
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI   94558
CAS Number  

Drug Properties

Molecular Weight  260.15
ALogP  -0.3007
MLogP  2.67
XLogP  4.167
HDA  4
HBD  1
Rotatable Bonds  4
TPSA  45.06
RO5 Violation  0