Drug Information

Drug ID:  NPD737
Drug Name:  Farampator
Molecular Formula:  C12H13N3O2
Canonical SMILES:  O=C(c1ccc2c(c1)non2)N1CCCCC1
Standard InCHI:  InChI=1S/C12H13N3O2/c16-12(15-6-2-1-3-7-15)9-4-5-10-11(8-9)14-17-13-10/h4-5,8H,1-3,6-7H2
Standard InCHIKey:  XFVRBYKKGGDPAJ-UHFFFAOYSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD737

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 0.7151 NPC32534
Intermediate Similarity 0.7035 NPC56233
Remote Similarity 0.694 NPC324091
Remote Similarity 0.6932 NPC469529
Remote Similarity 0.6906 NPC133003
Remote Similarity 0.6893 NPC151635
Remote Similarity 0.6889 NPC470205
Remote Similarity 0.6882 NPC477887
Remote Similarity 0.6879 NPC207428
Remote Similarity 0.686 NPC194881
Remote Similarity 0.6839 NPC114637
Remote Similarity 0.681 NPC238499
Remote Similarity 0.6809 NPC134657
Remote Similarity 0.6807 NPC478186
Remote Similarity 0.6768 NPC277157
Remote Similarity 0.6763 NPC242116
Remote Similarity 0.6746 NPC472260
Remote Similarity 0.6744 NPC293487
Remote Similarity 0.6685 NPC73994
Remote Similarity 0.6685 NPC161861
Remote Similarity 0.6667 NPC122553
Remote Similarity 0.6667 NPC102592
Remote Similarity 0.6667 NPC322433
Remote Similarity 0.6667 NPC79356
Remote Similarity 0.6667 NPC21429
Remote Similarity 0.6667 NPC219848
Remote Similarity 0.6647 NPC470440
Remote Similarity 0.6646 NPC280807
Remote Similarity 0.6646 NPC314431
Remote Similarity 0.663 NPC256268
Remote Similarity 0.663 NPC476341
Remote Similarity 0.6629 NPC478182
Remote Similarity 0.6626 NPC65408
Remote Similarity 0.6595 NPC17273
Remote Similarity 0.6595 NPC141612
Remote Similarity 0.6595 NPC135601
Remote Similarity 0.6592 NPC252572
Remote Similarity 0.659 NPC76982
Remote Similarity 0.6576 NPC477003
Remote Similarity 0.6571 NPC478185
Remote Similarity 0.6554 NPC478183
Remote Similarity 0.655 NPC117032
Remote Similarity 0.6545 NPC471574
Remote Similarity 0.6545 NPC471164
Remote Similarity 0.6536 NPC226143
Remote Similarity 0.6534 NPC478184
Remote Similarity 0.6534 NPC271797
Remote Similarity 0.6534 NPC265100
Remote Similarity 0.6534 NPC21174
Remote Similarity 0.6522 NPC243058
Remote Similarity 0.6513 NPC317701
Remote Similarity 0.6512 NPC281094
Remote Similarity 0.6497 NPC115232
Remote Similarity 0.6486 NPC203635
Remote Similarity 0.6484 NPC83774
Remote Similarity 0.6484 NPC234987
Remote Similarity 0.648 NPC471943
Remote Similarity 0.6478 NPC150863
Remote Similarity 0.6467 NPC88121
Remote Similarity 0.6467 NPC57051
Remote Similarity 0.6467 NPC191415
Remote Similarity 0.6455 NPC476460
Remote Similarity 0.645 NPC324445
Remote Similarity 0.6438 NPC187231
Remote Similarity 0.6438 NPC472245
Remote Similarity 0.6432 NPC102755
Remote Similarity 0.6432 NPC159125
Remote Similarity 0.6429 NPC136002
Remote Similarity 0.6425 NPC70949
Remote Similarity 0.6417 NPC90415
Remote Similarity 0.6413 NPC61011
Remote Similarity 0.6413 NPC24864
Remote Similarity 0.6389 NPC91895
Remote Similarity 0.638 NPC316104
Remote Similarity 0.638 NPC162417
Remote Similarity 0.6378 NPC113626
Remote Similarity 0.6364 NPC80681
Remote Similarity 0.6359 NPC12649
Remote Similarity 0.6359 NPC248462
Remote Similarity 0.6358 NPC70406
Remote Similarity 0.6335 NPC272458
Remote Similarity 0.633 NPC478077
Remote Similarity 0.6325 NPC469560
Remote Similarity 0.6324 NPC91179
Remote Similarity 0.6322 NPC251391
Remote Similarity 0.6321 NPC128244
Remote Similarity 0.631 NPC46895
Remote Similarity 0.6307 NPC236711
Remote Similarity 0.6304 NPC237188
Remote Similarity 0.6304 NPC14325
Remote Similarity 0.6304 NPC28848
Remote Similarity 0.6302 NPC326422
Remote Similarity 0.6301 NPC313889
Remote Similarity 0.6294 NPC57398
Remote Similarity 0.6292 NPC214106
Remote Similarity 0.6287 NPC207554
Remote Similarity 0.6284 NPC293216
Remote Similarity 0.6283 NPC473763
Remote Similarity 0.6283 NPC117244
Remote Similarity 0.6279 NPC470111
Remote Similarity 0.627 NPC11126
Remote Similarity 0.6264 NPC470679
Remote Similarity 0.6264 NPC217021
Remote Similarity 0.6256 NPC474916
Remote Similarity 0.625 NPC2823
Remote Similarity 0.6244 NPC471944
Remote Similarity 0.6243 NPC62749
Remote Similarity 0.6242 NPC300299
Remote Similarity 0.6237 NPC88110
Remote Similarity 0.6237 NPC472116
Remote Similarity 0.6224 NPC81535
Remote Similarity 0.6223 NPC258480
Remote Similarity 0.6222 NPC42372
Remote Similarity 0.6222 NPC233380
Remote Similarity 0.622 NPC130655
Remote Similarity 0.6216 NPC157583
Remote Similarity 0.6207 NPC473878
Remote Similarity 0.6205 NPC167710
Remote Similarity 0.619 NPC99939
Remote Similarity 0.619 NPC308931
Remote Similarity 0.619 NPC282103
Remote Similarity 0.6178 NPC27833
Remote Similarity 0.6174 NPC55529
Remote Similarity 0.6167 NPC328270
Remote Similarity 0.6166 NPC216550
Remote Similarity 0.6165 NPC322064
Remote Similarity 0.6164 NPC254698
Remote Similarity 0.6158 NPC66210
Remote Similarity 0.615 NPC15840
Remote Similarity 0.6149 NPC123906
Remote Similarity 0.6146 NPC31700
Remote Similarity 0.6142 NPC477004
Remote Similarity 0.6138 NPC228835
Remote Similarity 0.6138 NPC470003
Remote Similarity 0.6138 NPC471742
Remote Similarity 0.6138 NPC472119
Remote Similarity 0.6134 NPC472210
Remote Similarity 0.6134 NPC472295
Remote Similarity 0.6134 NPC81802
Remote Similarity 0.6134 NPC247735
Remote Similarity 0.6134 NPC269886
Remote Similarity 0.6131 NPC83214
Remote Similarity 0.6129 NPC15573
Remote Similarity 0.6129 NPC284775
Remote Similarity 0.6129 NPC183662
Remote Similarity 0.6129 NPC217372
Remote Similarity 0.6122 NPC141454
Remote Similarity 0.612 NPC65080
Remote Similarity 0.6117 NPC470677
Remote Similarity 0.6117 NPC477979
Remote Similarity 0.6108 NPC198988
Remote Similarity 0.6096 NPC219336
Remote Similarity 0.6095 NPC472243
Remote Similarity 0.6094 NPC102338
Remote Similarity 0.6094 NPC196251
Remote Similarity 0.6094 NPC111602
Remote Similarity 0.6094 NPC63199
Remote Similarity 0.6092 NPC100726
Remote Similarity 0.6092 NPC105811
Remote Similarity 0.6089 NPC270918
Remote Similarity 0.6089 NPC6436
Remote Similarity 0.6087 NPC472244
Remote Similarity 0.6087 NPC470343
Remote Similarity 0.6085 NPC143533
Remote Similarity 0.6082 NPC478040
Remote Similarity 0.6082 NPC471386
Remote Similarity 0.6073 NPC311858
Remote Similarity 0.607 NPC314648
Remote Similarity 0.6069 NPC467188
Remote Similarity 0.6069 NPC478039
Remote Similarity 0.6067 NPC84317
Remote Similarity 0.6064 NPC469896
Remote Similarity 0.6062 NPC472112
Remote Similarity 0.6061 NPC40364
Remote Similarity 0.6059 NPC104483
Remote Similarity 0.6059 NPC470301
Remote Similarity 0.6056 NPC100104
Remote Similarity 0.6056 NPC322644
Remote Similarity 0.6056 NPC27904
Remote Similarity 0.6056 NPC470680
Remote Similarity 0.6048 NPC323969
Remote Similarity 0.6045 NPC472207
Remote Similarity 0.6045 NPC200743
Remote Similarity 0.6044 NPC2414
Remote Similarity 0.6043 NPC64436
Remote Similarity 0.6042 NPC17059
Remote Similarity 0.604 NPC313345
Remote Similarity 0.604 NPC313796
Remote Similarity 0.604 NPC315638
Remote Similarity 0.604 NPC314855
Remote Similarity 0.6038 NPC257490
Remote Similarity 0.6023 NPC115611
Remote Similarity 0.6021 NPC79062
Remote Similarity 0.6021 NPC472107
Remote Similarity 0.602 NPC220151
Remote Similarity 0.602 NPC19692
Remote Similarity 0.6013 NPC291962
Remote Similarity 0.6013 NPC177684
Remote Similarity 0.6012 NPC472242
Remote Similarity 0.6012 NPC471123

Drug Structure

External Identifiers

TTD   DCL000801
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   4118151
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  231.10
ALogP  -1.6297
MLogP  2.23
XLogP  1.837
HDA  2
HBD  0
Rotatable Bonds  2
TPSA  59.23
RO5 Violation  0