Drug Information

Drug ID:  NPD1540
Drug Name:  Phenytoin Sodium
Molecular Formula:  C15H12N2O2.Na
Canonical SMILES:  [O-]C1=NC(=NC1(c1ccccc1)c1ccccc1)O.[Na+]
Standard InCHI:  InChI=1S/C15H12N2O2.Na/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H2,16,17,18,19);/q;+1/p-1
Standard InCHIKey:  FJPYVLNWWICYDW-UHFFFAOYSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1540

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 0.78 NPC316108
Intermediate Similarity 0.78 NPC172128
Intermediate Similarity 0.7723 NPC226438
Intermediate Similarity 0.7692 NPC311242
Intermediate Similarity 0.7565 NPC147957
Intermediate Similarity 0.7544 NPC470550
Intermediate Similarity 0.7525 NPC470877
Intermediate Similarity 0.75 NPC161972
Intermediate Similarity 0.75 NPC303045
Intermediate Similarity 0.75 NPC178681
Intermediate Similarity 0.7451 NPC78041
Intermediate Similarity 0.7451 NPC159178
Intermediate Similarity 0.7451 NPC74936
Intermediate Similarity 0.7451 NPC209764
Intermediate Similarity 0.7451 NPC471307
Intermediate Similarity 0.7451 NPC141139
Intermediate Similarity 0.7451 NPC121872
Intermediate Similarity 0.7364 NPC211551
Intermediate Similarity 0.7264 NPC25565
Intermediate Similarity 0.7241 NPC205652
Intermediate Similarity 0.7238 NPC471309
Intermediate Similarity 0.7196 NPC473501
Intermediate Similarity 0.7196 NPC475439
Intermediate Similarity 0.7196 NPC33168
Intermediate Similarity 0.7157 NPC471638
Intermediate Similarity 0.7143 NPC192623
Intermediate Similarity 0.7115 NPC258627
Intermediate Similarity 0.7009 NPC108339
Intermediate Similarity 0.7009 NPC58674
Remote Similarity 0.6923 NPC325441
Remote Similarity 0.6897 NPC319579
Remote Similarity 0.6893 NPC203076
Remote Similarity 0.6875 NPC471317
Remote Similarity 0.687 NPC153690
Remote Similarity 0.6833 NPC82963
Remote Similarity 0.6829 NPC273830
Remote Similarity 0.6827 NPC473031
Remote Similarity 0.6827 NPC198747
Remote Similarity 0.6822 NPC265521
Remote Similarity 0.6814 NPC194390
Remote Similarity 0.6814 NPC224610
Remote Similarity 0.6814 NPC113326
Remote Similarity 0.6814 NPC88267
Remote Similarity 0.68 NPC317758
Remote Similarity 0.6777 NPC311737
Remote Similarity 0.6777 NPC38458
Remote Similarity 0.6762 NPC262393
Remote Similarity 0.6759 NPC476483
Remote Similarity 0.6757 NPC12730
Remote Similarity 0.6729 NPC245259
Remote Similarity 0.6726 NPC471310
Remote Similarity 0.6726 NPC164859
Remote Similarity 0.6726 NPC202613
Remote Similarity 0.6723 NPC474544
Remote Similarity 0.6723 NPC1986
Remote Similarity 0.6696 NPC469457
Remote Similarity 0.6696 NPC327481
Remote Similarity 0.6667 NPC118202
Remote Similarity 0.6637 NPC318154
Remote Similarity 0.6637 NPC329375
Remote Similarity 0.6636 NPC471320
Remote Similarity 0.6636 NPC3371
Remote Similarity 0.6636 NPC471319
Remote Similarity 0.6636 NPC78154
Remote Similarity 0.6633 NPC189371
Remote Similarity 0.6604 NPC12429
Remote Similarity 0.6602 NPC119677
Remote Similarity 0.66 NPC224544
Remote Similarity 0.6589 NPC259098
Remote Similarity 0.6589 NPC197680
Remote Similarity 0.6587 NPC471315
Remote Similarity 0.6587 NPC471314
Remote Similarity 0.6581 NPC24101
Remote Similarity 0.6581 NPC96224
Remote Similarity 0.6557 NPC470544
Remote Similarity 0.6538 NPC95429
Remote Similarity 0.6531 NPC108218
Remote Similarity 0.6505 NPC73637
Remote Similarity 0.6505 NPC121478
Remote Similarity 0.6504 NPC470545
Remote Similarity 0.6496 NPC37584
Remote Similarity 0.648 NPC326232
Remote Similarity 0.6475 NPC317254
Remote Similarity 0.6475 NPC101139
Remote Similarity 0.6471 NPC474149
Remote Similarity 0.6471 NPC309279
Remote Similarity 0.6471 NPC184030
Remote Similarity 0.6471 NPC328178
Remote Similarity 0.6471 NPC164449
Remote Similarity 0.6466 NPC476198
Remote Similarity 0.6455 NPC7067
Remote Similarity 0.6452 NPC470546
Remote Similarity 0.6442 NPC146703
Remote Similarity 0.6439 NPC246913
Remote Similarity 0.6435 NPC178902
Remote Similarity 0.6434 NPC477937
Remote Similarity 0.6417 NPC329011
Remote Similarity 0.6412 NPC226662
Remote Similarity 0.641 NPC274089
Remote Similarity 0.641 NPC191215
Remote Similarity 0.641 NPC231705
Remote Similarity 0.6408 NPC133050
Remote Similarity 0.6404 NPC214200
Remote Similarity 0.6404 NPC228400
Remote Similarity 0.6396 NPC215351
Remote Similarity 0.6396 NPC20142
Remote Similarity 0.6393 NPC33742
Remote Similarity 0.6389 NPC199567
Remote Similarity 0.6387 NPC65855
Remote Similarity 0.6387 NPC258056
Remote Similarity 0.6387 NPC292758
Remote Similarity 0.6378 NPC109151
Remote Similarity 0.6372 NPC164514
Remote Similarity 0.6372 NPC108606
Remote Similarity 0.6372 NPC303611
Remote Similarity 0.6372 NPC226096
Remote Similarity 0.6372 NPC290515
Remote Similarity 0.6364 NPC323164
Remote Similarity 0.6364 NPC474584
Remote Similarity 0.6364 NPC299134
Remote Similarity 0.6357 NPC474926
Remote Similarity 0.6357 NPC325013
Remote Similarity 0.6357 NPC4974
Remote Similarity 0.6357 NPC47667
Remote Similarity 0.6357 NPC472414
Remote Similarity 0.6349 NPC45777
Remote Similarity 0.6349 NPC477061
Remote Similarity 0.6343 NPC184437
Remote Similarity 0.6341 NPC288232
Remote Similarity 0.6341 NPC188010
Remote Similarity 0.6336 NPC295478
Remote Similarity 0.633 NPC191444
Remote Similarity 0.6328 NPC472415
Remote Similarity 0.6327 NPC208302
Remote Similarity 0.6324 NPC166667
Remote Similarity 0.6321 NPC3210
Remote Similarity 0.6321 NPC99482
Remote Similarity 0.6311 NPC35850
Remote Similarity 0.6311 NPC276949
Remote Similarity 0.6308 NPC278097
Remote Similarity 0.6299 NPC71684
Remote Similarity 0.6283 NPC293628
Remote Similarity 0.6283 NPC122493
Remote Similarity 0.6283 NPC10781
Remote Similarity 0.6273 NPC470926
Remote Similarity 0.627 NPC283760
Remote Similarity 0.627 NPC43275
Remote Similarity 0.627 NPC268572
Remote Similarity 0.6263 NPC244738
Remote Similarity 0.6262 NPC474211
Remote Similarity 0.626 NPC199738
Remote Similarity 0.626 NPC471318
Remote Similarity 0.626 NPC210950
Remote Similarity 0.625 NPC172925
Remote Similarity 0.6239 NPC469974
Remote Similarity 0.6239 NPC150254
Remote Similarity 0.6239 NPC304761
Remote Similarity 0.6239 NPC176858
Remote Similarity 0.6239 NPC226778
Remote Similarity 0.6239 NPC147000
Remote Similarity 0.6228 NPC107619
Remote Similarity 0.6226 NPC169016
Remote Similarity 0.6226 NPC168855
Remote Similarity 0.6222 NPC267237
Remote Similarity 0.622 NPC289330
Remote Similarity 0.622 NPC160120
Remote Similarity 0.622 NPC17388
Remote Similarity 0.622 NPC471308
Remote Similarity 0.622 NPC53596
Remote Similarity 0.622 NPC317564
Remote Similarity 0.6218 NPC142297
Remote Similarity 0.6216 NPC45040
Remote Similarity 0.6216 NPC128645
Remote Similarity 0.6212 NPC71271
Remote Similarity 0.621 NPC197470
Remote Similarity 0.6207 NPC327226
Remote Similarity 0.6204 NPC322387
Remote Similarity 0.6202 NPC35996
Remote Similarity 0.6195 NPC21959
Remote Similarity 0.6194 NPC42423
Remote Similarity 0.619 NPC14326
Remote Similarity 0.619 NPC475199
Remote Similarity 0.619 NPC283012
Remote Similarity 0.619 NPC310467
Remote Similarity 0.6179 NPC187036
Remote Similarity 0.6176 NPC98269
Remote Similarity 0.6176 NPC325662
Remote Similarity 0.6172 NPC284078
Remote Similarity 0.617 NPC472103
Remote Similarity 0.6168 NPC474354
Remote Similarity 0.6165 NPC325651
Remote Similarity 0.6161 NPC322040
Remote Similarity 0.6161 NPC271440
Remote Similarity 0.616 NPC14672
Remote Similarity 0.616 NPC2265
Remote Similarity 0.616 NPC285926
Remote Similarity 0.616 NPC315276
Remote Similarity 0.614 NPC324569
Remote Similarity 0.6139 NPC98976
Remote Similarity 0.6132 NPC104070

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  251.08
ALogP  -1.2537
MLogP  2.67
XLogP  4.854
HDA  4
HBD  1
Rotatable Bonds  4
TPSA  68.01
RO5 Violation  0