Drug Information

Drug ID:  NPD785
Drug Name:  Fenproporex
Molecular Formula:  C12H16N2
Canonical SMILES:  CC(Cc1ccccc1)NCCC#N
Standard InCHI:  InChI=1S/C12H16N2/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,9-10H2,1H3
Standard InCHIKey:  IQUFSXIQAFPIMR-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD785

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 0.8974 NPC139658
High Similarity 0.8718 NPC122327
High Similarity 0.8718 NPC113000
High Similarity 0.8718 NPC112609
Intermediate Similarity 0.8395 NPC325662
Intermediate Similarity 0.8395 NPC98269
Intermediate Similarity 0.8395 NPC290638
Intermediate Similarity 0.8353 NPC169016
Intermediate Similarity 0.8333 NPC229235
Intermediate Similarity 0.8293 NPC12857
Intermediate Similarity 0.8148 NPC276699
Intermediate Similarity 0.8023 NPC119677
Intermediate Similarity 0.8 NPC231986
Intermediate Similarity 0.7955 NPC258046
Intermediate Similarity 0.7849 NPC329430
Intermediate Similarity 0.7831 NPC271642
Intermediate Similarity 0.7727 NPC133162
Intermediate Similarity 0.7711 NPC98976
Intermediate Similarity 0.7654 NPC219246
Intermediate Similarity 0.7553 NPC469330
Intermediate Similarity 0.7553 NPC7067
Intermediate Similarity 0.747 NPC244738
Intermediate Similarity 0.7416 NPC104070
Intermediate Similarity 0.7396 NPC471320
Intermediate Similarity 0.7396 NPC471319
Intermediate Similarity 0.7342 NPC50266
Intermediate Similarity 0.734 NPC470926
Intermediate Similarity 0.7222 NPC474088
Intermediate Similarity 0.7113 NPC108339
Intermediate Similarity 0.7108 NPC200936
Intermediate Similarity 0.7059 NPC150254
Intermediate Similarity 0.7059 NPC226778
Intermediate Similarity 0.7059 NPC304761
Intermediate Similarity 0.7059 NPC147000
Intermediate Similarity 0.7059 NPC275467
Intermediate Similarity 0.701 NPC322040
Intermediate Similarity 0.701 NPC291070
Intermediate Similarity 0.701 NPC246757
Remote Similarity 0.699 NPC67043
Remote Similarity 0.6977 NPC299134
Remote Similarity 0.6952 NPC77294
Remote Similarity 0.6923 NPC65873
Remote Similarity 0.6923 NPC120441
Remote Similarity 0.6923 NPC212114
Remote Similarity 0.6923 NPC300345
Remote Similarity 0.6915 NPC60408
Remote Similarity 0.6907 NPC473661
Remote Similarity 0.6887 NPC24777
Remote Similarity 0.6875 NPC210849
Remote Similarity 0.6863 NPC327226
Remote Similarity 0.6818 NPC110264
Remote Similarity 0.6795 NPC269586
Remote Similarity 0.6795 NPC198841
Remote Similarity 0.6768 NPC303045
Remote Similarity 0.6768 NPC161972
Remote Similarity 0.6765 NPC474582
Remote Similarity 0.6762 NPC327481
Remote Similarity 0.6737 NPC305602
Remote Similarity 0.6737 NPC471638
Remote Similarity 0.6737 NPC17497
Remote Similarity 0.6737 NPC473031
Remote Similarity 0.6733 NPC290515
Remote Similarity 0.6733 NPC322598
Remote Similarity 0.6733 NPC164514
Remote Similarity 0.6733 NPC226096
Remote Similarity 0.6733 NPC303611
Remote Similarity 0.6733 NPC108606
Remote Similarity 0.6727 NPC113099
Remote Similarity 0.67 NPC25565
Remote Similarity 0.6699 NPC291610
Remote Similarity 0.6699 NPC239854
Remote Similarity 0.6667 NPC101139
Remote Similarity 0.6667 NPC12429
Remote Similarity 0.6667 NPC474695
Remote Similarity 0.6667 NPC277704
Remote Similarity 0.6667 NPC30445
Remote Similarity 0.6667 NPC310758
Remote Similarity 0.6667 NPC238023
Remote Similarity 0.6667 NPC54368
Remote Similarity 0.6667 NPC473418
Remote Similarity 0.6667 NPC135924
Remote Similarity 0.6667 NPC248705
Remote Similarity 0.6667 NPC149436
Remote Similarity 0.6667 NPC150196
Remote Similarity 0.6634 NPC475439
Remote Similarity 0.6634 NPC122493
Remote Similarity 0.6634 NPC10781
Remote Similarity 0.6634 NPC472258
Remote Similarity 0.6634 NPC473501
Remote Similarity 0.6634 NPC293628
Remote Similarity 0.6633 NPC245259
Remote Similarity 0.6633 NPC226438
Remote Similarity 0.6632 NPC203076
Remote Similarity 0.6627 NPC32312
Remote Similarity 0.6627 NPC155172
Remote Similarity 0.6627 NPC198023
Remote Similarity 0.6625 NPC8235
Remote Similarity 0.6607 NPC313673
Remote Similarity 0.6604 NPC473498
Remote Similarity 0.6602 NPC214200
Remote Similarity 0.6602 NPC228400
Remote Similarity 0.6598 NPC470877
Remote Similarity 0.6585 NPC29680
Remote Similarity 0.6585 NPC22786
Remote Similarity 0.6562 NPC262295
Remote Similarity 0.6559 NPC14326
Remote Similarity 0.6548 NPC178527
Remote Similarity 0.6543 NPC147062
Remote Similarity 0.6543 NPC169110
Remote Similarity 0.6531 NPC191444
Remote Similarity 0.6531 NPC141139
Remote Similarity 0.6531 NPC78041
Remote Similarity 0.6531 NPC121872
Remote Similarity 0.6531 NPC316108
Remote Similarity 0.6531 NPC159178
Remote Similarity 0.6531 NPC209764
Remote Similarity 0.6531 NPC471307
Remote Similarity 0.6531 NPC74936
Remote Similarity 0.6522 NPC475573
Remote Similarity 0.6522 NPC475289
Remote Similarity 0.6506 NPC45756
Remote Similarity 0.6506 NPC88566
Remote Similarity 0.6495 NPC111233
Remote Similarity 0.6489 NPC134825
Remote Similarity 0.6476 NPC164859
Remote Similarity 0.6471 NPC311242
Remote Similarity 0.6471 NPC324569
Remote Similarity 0.6466 NPC71684
Remote Similarity 0.6463 NPC246588
Remote Similarity 0.6455 NPC275410
Remote Similarity 0.6436 NPC20142
Remote Similarity 0.6436 NPC215351
Remote Similarity 0.6429 NPC173991
Remote Similarity 0.6429 NPC176858
Remote Similarity 0.642 NPC64270
Remote Similarity 0.642 NPC36357
Remote Similarity 0.642 NPC114327
Remote Similarity 0.6415 NPC469974
Remote Similarity 0.6396 NPC474584
Remote Similarity 0.6386 NPC71009
Remote Similarity 0.6386 NPC66517
Remote Similarity 0.6364 NPC319579
Remote Similarity 0.6355 NPC167336
Remote Similarity 0.6354 NPC3210
Remote Similarity 0.6348 NPC320656
Remote Similarity 0.6337 NPC471309
Remote Similarity 0.6337 NPC474974
Remote Similarity 0.6337 NPC71140
Remote Similarity 0.6325 NPC475915
Remote Similarity 0.631 NPC113670
Remote Similarity 0.631 NPC21211
Remote Similarity 0.6306 NPC329011
Remote Similarity 0.6279 NPC52330
Remote Similarity 0.6279 NPC6107
Remote Similarity 0.6279 NPC267443
Remote Similarity 0.6275 NPC58674
Remote Similarity 0.6275 NPC256452
Remote Similarity 0.6262 NPC224610
Remote Similarity 0.6262 NPC194390
Remote Similarity 0.6262 NPC113326
Remote Similarity 0.6262 NPC88267
Remote Similarity 0.6238 NPC108800
Remote Similarity 0.6235 NPC291066
Remote Similarity 0.6228 NPC197470
Remote Similarity 0.6226 NPC329375
Remote Similarity 0.6214 NPC317400
Remote Similarity 0.6204 NPC476198
Remote Similarity 0.62 NPC172128
Remote Similarity 0.6195 NPC276949
Remote Similarity 0.6195 NPC35850
Remote Similarity 0.619 NPC200745
Remote Similarity 0.619 NPC125732
Remote Similarity 0.619 NPC12730
Remote Similarity 0.6182 NPC97811
Remote Similarity 0.6182 NPC302790
Remote Similarity 0.618 NPC125144
Remote Similarity 0.618 NPC121708
Remote Similarity 0.6174 NPC2265
Remote Similarity 0.617 NPC192623
Remote Similarity 0.6163 NPC113837
Remote Similarity 0.6163 NPC289915
Remote Similarity 0.6147 NPC45033
Remote Similarity 0.614 NPC33742
Remote Similarity 0.6136 NPC246822
Remote Similarity 0.6136 NPC139416
Remote Similarity 0.6136 NPC213570
Remote Similarity 0.6132 NPC155847
Remote Similarity 0.6132 NPC289381
Remote Similarity 0.6126 NPC292758
Remote Similarity 0.6126 NPC65855
Remote Similarity 0.6121 NPC313449
Remote Similarity 0.6111 NPC54269
Remote Similarity 0.6091 NPC79618
Remote Similarity 0.6091 NPC434
Remote Similarity 0.6087 NPC35599
Remote Similarity 0.6087 NPC10286
Remote Similarity 0.6087 NPC213
Remote Similarity 0.6071 NPC45255
Remote Similarity 0.6068 NPC314992
Remote Similarity 0.6066 NPC477937

Drug Structure

External Identifiers

TTD  
DrugBank   DB01550
ChEMBL   CHEMBL2105566
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D07947
PubChem CID  
ChEBI   134837
CAS Number  16397-28-7

Drug Properties

Molecular Weight  188.13
ALogP  -0.276
MLogP  2.56
XLogP  3.623
HDA  2
HBD  1
Rotatable Bonds  6
TPSA  35.82
RO5 Violation  0