Drug Information

Drug ID:  NPD2387
Drug Name:  Eslicarbazepine Acetate
Molecular Formula:  C17H16N2O3
Canonical SMILES:  CC(=O)O[C@H]1Cc2ccccc2N(c2c1cccc2)C(=N)O
Standard InCHI:  InChI=1S/C17H16N2O3/c1-11(20)22-16-10-12-6-2-4-8-14(12)19(17(18)21)15-9-5-3-7-13(15)16/h2-9,16H,10H2,1H3,(H2,18,21)/t16-/m0/s1
Standard InCHIKey:  QIALRBLEEWJACW-INIZCTEOSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2387

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 0.731 NPC325013
Intermediate Similarity 0.726 NPC250476
Intermediate Similarity 0.7067 NPC231382
Remote Similarity 0.6993 NPC173295
Remote Similarity 0.6933 NPC471132
Remote Similarity 0.6933 NPC122235
Remote Similarity 0.6899 NPC308197
Remote Similarity 0.6826 NPC474058
Remote Similarity 0.6826 NPC320064
Remote Similarity 0.6818 NPC184437
Remote Similarity 0.68 NPC475685
Remote Similarity 0.6797 NPC476687
Remote Similarity 0.6797 NPC476685
Remote Similarity 0.6797 NPC476689
Remote Similarity 0.679 NPC242000
Remote Similarity 0.6779 NPC226794
Remote Similarity 0.6776 NPC226662
Remote Similarity 0.6765 NPC278887
Remote Similarity 0.6746 NPC292143
Remote Similarity 0.6746 NPC139506
Remote Similarity 0.6711 NPC259098
Remote Similarity 0.6711 NPC197680
Remote Similarity 0.6711 NPC101372
Remote Similarity 0.671 NPC253476
Remote Similarity 0.6686 NPC469915
Remote Similarity 0.6667 NPC473815
Remote Similarity 0.6648 NPC321211
Remote Similarity 0.6647 NPC85482
Remote Similarity 0.6646 NPC319645
Remote Similarity 0.6608 NPC70172
Remote Similarity 0.6588 NPC85651
Remote Similarity 0.6582 NPC287358
Remote Similarity 0.6575 NPC147957
Remote Similarity 0.657 NPC182131
Remote Similarity 0.657 NPC472114
Remote Similarity 0.657 NPC472115
Remote Similarity 0.6562 NPC314113
Remote Similarity 0.6557 NPC475411
Remote Similarity 0.6548 NPC29285
Remote Similarity 0.6536 NPC470317
Remote Similarity 0.6534 NPC84347
Remote Similarity 0.6534 NPC471743
Remote Similarity 0.6534 NPC475607
Remote Similarity 0.6529 NPC27904
Remote Similarity 0.6525 NPC37584
Remote Similarity 0.6512 NPC471130
Remote Similarity 0.651 NPC326232
Remote Similarity 0.6503 NPC474059
Remote Similarity 0.65 NPC471742
Remote Similarity 0.65 NPC472243
Remote Similarity 0.65 NPC320394
Remote Similarity 0.6497 NPC186669
Remote Similarity 0.6497 NPC474081
Remote Similarity 0.6491 NPC476231
Remote Similarity 0.6491 NPC230942
Remote Similarity 0.6491 NPC88970
Remote Similarity 0.6491 NPC286871
Remote Similarity 0.6491 NPC315498
Remote Similarity 0.6485 NPC300596
Remote Similarity 0.6485 NPC237649
Remote Similarity 0.648 NPC475962
Remote Similarity 0.6477 NPC475594
Remote Similarity 0.6471 NPC310403
Remote Similarity 0.6471 NPC263709
Remote Similarity 0.6471 NPC63210
Remote Similarity 0.6471 NPC97380
Remote Similarity 0.6471 NPC243673
Remote Similarity 0.6471 NPC148468
Remote Similarity 0.6464 NPC322621
Remote Similarity 0.6461 NPC218594
Remote Similarity 0.6461 NPC99043
Remote Similarity 0.646 NPC43477
Remote Similarity 0.6453 NPC313757
Remote Similarity 0.6452 NPC198205
Remote Similarity 0.6452 NPC21483
Remote Similarity 0.6438 NPC205652
Remote Similarity 0.6437 NPC470971
Remote Similarity 0.6433 NPC93653
Remote Similarity 0.6433 NPC143457
Remote Similarity 0.6429 NPC26872
Remote Similarity 0.642 NPC307640
Remote Similarity 0.6416 NPC52059
Remote Similarity 0.6416 NPC470069
Remote Similarity 0.6412 NPC61013
Remote Similarity 0.6412 NPC26850
Remote Similarity 0.6412 NPC123241
Remote Similarity 0.641 NPC314098
Remote Similarity 0.6409 NPC97584
Remote Similarity 0.6404 NPC283152
Remote Similarity 0.6404 NPC211997
Remote Similarity 0.6402 NPC470824
Remote Similarity 0.6395 NPC293458
Remote Similarity 0.6395 NPC176983
Remote Similarity 0.6391 NPC161827
Remote Similarity 0.6384 NPC13367
Remote Similarity 0.6383 NPC198390
Remote Similarity 0.6374 NPC49184
Remote Similarity 0.6374 NPC471122
Remote Similarity 0.6374 NPC193410
Remote Similarity 0.6369 NPC474041
Remote Similarity 0.6369 NPC475761
Remote Similarity 0.6358 NPC189116
Remote Similarity 0.6354 NPC159963
Remote Similarity 0.6354 NPC256288
Remote Similarity 0.6353 NPC10730
Remote Similarity 0.6353 NPC36836
Remote Similarity 0.6353 NPC315257
Remote Similarity 0.6353 NPC10875
Remote Similarity 0.6353 NPC63370
Remote Similarity 0.6349 NPC311054
Remote Similarity 0.6349 NPC112752
Remote Similarity 0.6348 NPC473432
Remote Similarity 0.6348 NPC129624
Remote Similarity 0.6348 NPC203202
Remote Similarity 0.6348 NPC264482
Remote Similarity 0.6348 NPC134586
Remote Similarity 0.6347 NPC473329
Remote Similarity 0.6344 NPC55493
Remote Similarity 0.6341 NPC472103
Remote Similarity 0.634 NPC243850
Remote Similarity 0.6339 NPC194040
Remote Similarity 0.6337 NPC248117
Remote Similarity 0.6328 NPC177261
Remote Similarity 0.6328 NPC276993
Remote Similarity 0.6328 NPC298851
Remote Similarity 0.6328 NPC293255
Remote Similarity 0.6328 NPC210415
Remote Similarity 0.6328 NPC21752
Remote Similarity 0.6328 NPC181138
Remote Similarity 0.6327 NPC470550
Remote Similarity 0.6325 NPC254798
Remote Similarity 0.6324 NPC313293
Remote Similarity 0.6324 NPC5630
Remote Similarity 0.6323 NPC476950
Remote Similarity 0.6319 NPC65855
Remote Similarity 0.6319 NPC472241
Remote Similarity 0.6319 NPC292758
Remote Similarity 0.6319 NPC2933
Remote Similarity 0.6316 NPC107828
Remote Similarity 0.6316 NPC90358
Remote Similarity 0.6316 NPC153694
Remote Similarity 0.6316 NPC211525
Remote Similarity 0.6316 NPC469428
Remote Similarity 0.6312 NPC237227
Remote Similarity 0.631 NPC314223
Remote Similarity 0.6308 NPC285192
Remote Similarity 0.6303 NPC477556
Remote Similarity 0.63 NPC471197
Remote Similarity 0.6299 NPC470343
Remote Similarity 0.6299 NPC472244
Remote Similarity 0.6296 NPC242933
Remote Similarity 0.6296 NPC314948
Remote Similarity 0.6291 NPC130931
Remote Similarity 0.629 NPC203628
Remote Similarity 0.6289 NPC315638
Remote Similarity 0.6289 NPC313345
Remote Similarity 0.6289 NPC313796
Remote Similarity 0.6289 NPC314855
Remote Similarity 0.6284 NPC259626
Remote Similarity 0.6284 NPC288232
Remote Similarity 0.6284 NPC473007
Remote Similarity 0.6278 NPC6974
Remote Similarity 0.6277 NPC476205
Remote Similarity 0.6277 NPC230313
Remote Similarity 0.6277 NPC476257
Remote Similarity 0.6277 NPC259791
Remote Similarity 0.6277 NPC243626
Remote Similarity 0.6277 NPC476207
Remote Similarity 0.6277 NPC198401
Remote Similarity 0.6277 NPC476256
Remote Similarity 0.6277 NPC476129
Remote Similarity 0.6277 NPC476206
Remote Similarity 0.6277 NPC476212
Remote Similarity 0.627 NPC477998
Remote Similarity 0.6269 NPC471198
Remote Similarity 0.6267 NPC228515
Remote Similarity 0.6265 NPC472100
Remote Similarity 0.6264 NPC476118
Remote Similarity 0.6257 NPC476441
Remote Similarity 0.6257 NPC79213
Remote Similarity 0.6257 NPC56618
Remote Similarity 0.6256 NPC314297
Remote Similarity 0.6256 NPC315545
Remote Similarity 0.625 NPC282092
Remote Similarity 0.625 NPC144691
Remote Similarity 0.625 NPC288445
Remote Similarity 0.625 NPC90415
Remote Similarity 0.625 NPC176371
Remote Similarity 0.625 NPC469462
Remote Similarity 0.625 NPC473615
Remote Similarity 0.625 NPC224970
Remote Similarity 0.625 NPC223595
Remote Similarity 0.625 NPC136573
Remote Similarity 0.625 NPC302790
Remote Similarity 0.625 NPC167724
Remote Similarity 0.6243 NPC201424
Remote Similarity 0.6243 NPC476218
Remote Similarity 0.6243 NPC108804
Remote Similarity 0.6242 NPC471321
Remote Similarity 0.6242 NPC471306

Drug Structure

External Identifiers

TTD  
DrugBank   DB09119
ChEMBL   CHEMBL87992
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D09612
PubChem CID  
ChEBI   87016
CAS Number  236395-14-5

Drug Properties

Molecular Weight  296.12
ALogP  -0.1437
MLogP  2.78
XLogP  5.591
HDA  5
HBD  2
Rotatable Bonds  5
TPSA  73.62
RO5 Violation  1