Drug Information

Drug ID:  NPD753
Drug Name:  Mephenytoin
Molecular Formula:  C12H14N2O2
Canonical SMILES:  CCC1(N=C(N(C1=O)C)O)c1ccccc1
Standard InCHI:  InChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)14(2)11(16)13-12/h4-8H,3H2,1-2H3,(H,13,16)
Standard InCHIKey:  GMHKMTDVRCWUDX-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD753

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 0.7273 NPC71140
Intermediate Similarity 0.7241 NPC473418
Intermediate Similarity 0.7154 NPC285926
Intermediate Similarity 0.7154 NPC315276
Intermediate Similarity 0.7154 NPC14672
Intermediate Similarity 0.713 NPC329375
Intermediate Similarity 0.7119 NPC55529
Intermediate Similarity 0.7063 NPC200964
Intermediate Similarity 0.7063 NPC27833
Intermediate Similarity 0.704 NPC220698
Intermediate Similarity 0.7034 NPC45033
Remote Similarity 0.6991 NPC471320
Remote Similarity 0.6991 NPC471319
Remote Similarity 0.6949 NPC476198
Remote Similarity 0.6911 NPC276949
Remote Similarity 0.6911 NPC35850
Remote Similarity 0.6903 NPC256452
Remote Similarity 0.6864 NPC469974
Remote Similarity 0.6855 NPC33742
Remote Similarity 0.6825 NPC470545
Remote Similarity 0.681 NPC12730
Remote Similarity 0.6794 NPC101719
Remote Similarity 0.678 NPC471317
Remote Similarity 0.6772 NPC470546
Remote Similarity 0.6769 NPC175726
Remote Similarity 0.6769 NPC474082
Remote Similarity 0.6754 NPC108339
Remote Similarity 0.675 NPC471447
Remote Similarity 0.6746 NPC239357
Remote Similarity 0.6746 NPC470544
Remote Similarity 0.6741 NPC194857
Remote Similarity 0.6741 NPC32858
Remote Similarity 0.6739 NPC132636
Remote Similarity 0.6724 NPC322598
Remote Similarity 0.6718 NPC222466
Remote Similarity 0.6667 NPC7067
Remote Similarity 0.6667 NPC302169
Remote Similarity 0.6642 NPC473322
Remote Similarity 0.6641 NPC6975
Remote Similarity 0.6639 NPC164859
Remote Similarity 0.6618 NPC207428
Remote Similarity 0.6615 NPC71684
Remote Similarity 0.6593 NPC200589
Remote Similarity 0.6544 NPC255447
Remote Similarity 0.6541 NPC79698
Remote Similarity 0.6529 NPC143516
Remote Similarity 0.6529 NPC67043
Remote Similarity 0.6519 NPC111428
Remote Similarity 0.65 NPC202613
Remote Similarity 0.6496 NPC472258
Remote Similarity 0.6496 NPC325479
Remote Similarity 0.6493 NPC477937
Remote Similarity 0.6489 NPC202521
Remote Similarity 0.648 NPC181390
Remote Similarity 0.6475 NPC474973
Remote Similarity 0.6475 NPC300299
Remote Similarity 0.6475 NPC474804
Remote Similarity 0.6475 NPC130898
Remote Similarity 0.6435 NPC473661
Remote Similarity 0.6429 NPC473031
Remote Similarity 0.6418 NPC474926
Remote Similarity 0.6412 NPC476990
Remote Similarity 0.6406 NPC188010
Remote Similarity 0.6406 NPC473573
Remote Similarity 0.6404 NPC316108
Remote Similarity 0.6403 NPC248283
Remote Similarity 0.6397 NPC313722
Remote Similarity 0.6397 NPC150863
Remote Similarity 0.6393 NPC167336
Remote Similarity 0.6381 NPC98976
Remote Similarity 0.6379 NPC322040
Remote Similarity 0.6379 NPC246757
Remote Similarity 0.6379 NPC291070
Remote Similarity 0.6377 NPC473962
Remote Similarity 0.6371 NPC473676
Remote Similarity 0.637 NPC324445
Remote Similarity 0.6364 NPC474088
Remote Similarity 0.6356 NPC122493
Remote Similarity 0.6356 NPC293628
Remote Similarity 0.6356 NPC10781
Remote Similarity 0.6343 NPC22746
Remote Similarity 0.6341 NPC327481
Remote Similarity 0.6341 NPC473498
Remote Similarity 0.6321 NPC271642
Remote Similarity 0.6316 NPC470877
Remote Similarity 0.6316 NPC252878
Remote Similarity 0.6304 NPC126458
Remote Similarity 0.6304 NPC130309
Remote Similarity 0.6299 NPC474584
Remote Similarity 0.6294 NPC269398
Remote Similarity 0.6294 NPC207554
Remote Similarity 0.6294 NPC263493
Remote Similarity 0.6283 NPC17497
Remote Similarity 0.6283 NPC305602
Remote Similarity 0.6277 NPC469666
Remote Similarity 0.627 NPC319579
Remote Similarity 0.6269 NPC46427
Remote Similarity 0.6268 NPC98424
Remote Similarity 0.6268 NPC178662
Remote Similarity 0.6268 NPC470884
Remote Similarity 0.6268 NPC92784
Remote Similarity 0.6268 NPC476133
Remote Similarity 0.6268 NPC89489
Remote Similarity 0.6261 NPC78041
Remote Similarity 0.6261 NPC121872
Remote Similarity 0.6261 NPC141139
Remote Similarity 0.6261 NPC74936
Remote Similarity 0.6261 NPC209764
Remote Similarity 0.6261 NPC471307
Remote Similarity 0.6261 NPC159178
Remote Similarity 0.625 NPC322433
Remote Similarity 0.625 NPC161069
Remote Similarity 0.625 NPC84317
Remote Similarity 0.625 NPC470301
Remote Similarity 0.6239 NPC469330
Remote Similarity 0.6239 NPC474974
Remote Similarity 0.6232 NPC300315
Remote Similarity 0.6232 NPC314431
Remote Similarity 0.6232 NPC472245
Remote Similarity 0.6232 NPC280807
Remote Similarity 0.6224 NPC469560
Remote Similarity 0.6222 NPC317758
Remote Similarity 0.622 NPC329011
Remote Similarity 0.622 NPC475013
Remote Similarity 0.6218 NPC324569
Remote Similarity 0.6216 NPC104070
Remote Similarity 0.6212 NPC226143
Remote Similarity 0.621 NPC191215
Remote Similarity 0.621 NPC274089
Remote Similarity 0.6207 NPC476978
Remote Similarity 0.6204 NPC319766
Remote Similarity 0.6202 NPC471318
Remote Similarity 0.619 NPC158854
Remote Similarity 0.619 NPC311658
Remote Similarity 0.619 NPC285679
Remote Similarity 0.6181 NPC315051
Remote Similarity 0.6179 NPC275467
Remote Similarity 0.6176 NPC470343
Remote Similarity 0.6176 NPC472244
Remote Similarity 0.6169 NPC154478
Remote Similarity 0.6164 NPC5620
Remote Similarity 0.6164 NPC471680
Remote Similarity 0.6159 NPC213969
Remote Similarity 0.6159 NPC165726
Remote Similarity 0.6154 NPC242159
Remote Similarity 0.6154 NPC288232
Remote Similarity 0.6154 NPC197470
Remote Similarity 0.6154 NPC313694
Remote Similarity 0.6154 NPC122553
Remote Similarity 0.6143 NPC40364
Remote Similarity 0.6143 NPC257390
Remote Similarity 0.614 NPC322387
Remote Similarity 0.614 NPC471638
Remote Similarity 0.6138 NPC468984
Remote Similarity 0.6138 NPC471164
Remote Similarity 0.6138 NPC139326
Remote Similarity 0.6136 NPC310467
Remote Similarity 0.6127 NPC314835
Remote Similarity 0.6124 NPC476048
Remote Similarity 0.6124 NPC57051
Remote Similarity 0.6121 NPC78154
Remote Similarity 0.6115 NPC179224
Remote Similarity 0.6115 NPC187231
Remote Similarity 0.6111 NPC307357
Remote Similarity 0.6111 NPC46098
Remote Similarity 0.6111 NPC298023
Remote Similarity 0.6111 NPC268841
Remote Similarity 0.6111 NPC83214
Remote Similarity 0.6107 NPC283783
Remote Similarity 0.6104 NPC104345
Remote Similarity 0.6102 NPC471309
Remote Similarity 0.6099 NPC287401
Remote Similarity 0.6096 NPC52748
Remote Similarity 0.6095 NPC74458
Remote Similarity 0.6084 NPC471264
Remote Similarity 0.6084 NPC471265
Remote Similarity 0.6081 NPC138775
Remote Similarity 0.6074 NPC268348
Remote Similarity 0.6074 NPC213126
Remote Similarity 0.6074 NPC84281
Remote Similarity 0.6074 NPC317474
Remote Similarity 0.6074 NPC291027
Remote Similarity 0.6074 NPC169485
Remote Similarity 0.6071 NPC120251
Remote Similarity 0.6068 NPC226438
Remote Similarity 0.6068 NPC470926
Remote Similarity 0.6068 NPC245259
Remote Similarity 0.6061 NPC169328
Remote Similarity 0.6056 NPC316104
Remote Similarity 0.6056 NPC141050
Remote Similarity 0.6056 NPC162417
Remote Similarity 0.6055 NPC12857
Remote Similarity 0.6055 NPC103488
Remote Similarity 0.6054 NPC209509
Remote Similarity 0.605 NPC303045
Remote Similarity 0.605 NPC161972
Remote Similarity 0.6045 NPC80150
Remote Similarity 0.6036 NPC231986
Remote Similarity 0.6027 NPC2823
Remote Similarity 0.6017 NPC323164

Drug Structure

External Identifiers

TTD   DAP000508
DrugBank   DB00532
ChEMBL   CHEMBL861
IUPHAR/BPS   7223
PharmaGKB   PA450373
KEGG Drug   D00375
PubChem CID   4060
ChEBI   6757
CAS Number  50-12-4

Drug Properties

Molecular Weight  218.11
ALogP  -0.6173
MLogP  2.34
XLogP  2.887
HDA  4
HBD  1
Rotatable Bonds  5
TPSA  52.9
RO5 Violation  0