Drug Information

Drug ID:  NPD1594
Drug Name:  Licarbazepine
Molecular Formula:  C15H14N2O2
Canonical SMILES:  OC1Cc2ccccc2N(c2c1cccc2)C(=N)O
Standard InCHI:  InChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19)
Standard InCHIKey:  BMPDWHIDQYTSHX-UHFFFAOYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1594

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 0.7626 NPC226662
Intermediate Similarity 0.7554 NPC197680
Intermediate Similarity 0.7554 NPC259098
Intermediate Similarity 0.7353 NPC326232
Intermediate Similarity 0.7292 NPC184437
Intermediate Similarity 0.7287 NPC37584
Intermediate Similarity 0.7273 NPC476689
Intermediate Similarity 0.7273 NPC476687
Intermediate Similarity 0.7273 NPC476685
Intermediate Similarity 0.7185 NPC147957
Intermediate Similarity 0.7092 NPC325013
Intermediate Similarity 0.7051 NPC471132
Intermediate Similarity 0.7039 NPC470824
Intermediate Similarity 0.7037 NPC205652
Remote Similarity 0.6923 NPC250476
Remote Similarity 0.6912 NPC470550
Remote Similarity 0.6859 NPC288445
Remote Similarity 0.6831 NPC283130
Remote Similarity 0.6831 NPC328683
Remote Similarity 0.6795 NPC237649
Remote Similarity 0.6795 NPC300596
Remote Similarity 0.6791 NPC292758
Remote Similarity 0.6791 NPC65855
Remote Similarity 0.679 NPC85651
Remote Similarity 0.679 NPC88970
Remote Similarity 0.6768 NPC182131
Remote Similarity 0.6718 NPC178681
Remote Similarity 0.6716 NPC302790
Remote Similarity 0.6712 NPC101372
Remote Similarity 0.6711 NPC253476
Remote Similarity 0.6707 NPC471130
Remote Similarity 0.6667 NPC475594
Remote Similarity 0.6667 NPC314394
Remote Similarity 0.6646 NPC102423
Remote Similarity 0.6645 NPC472103
Remote Similarity 0.6644 NPC476950
Remote Similarity 0.6627 NPC471743
Remote Similarity 0.6627 NPC475607
Remote Similarity 0.6622 NPC231382
Remote Similarity 0.6608 NPC475685
Remote Similarity 0.6605 NPC469428
Remote Similarity 0.6601 NPC472243
Remote Similarity 0.6588 NPC474081
Remote Similarity 0.6585 NPC476231
Remote Similarity 0.6558 NPC43477
Remote Similarity 0.655 NPC475761
Remote Similarity 0.655 NPC474041
Remote Similarity 0.6545 NPC476118
Remote Similarity 0.6545 NPC292143
Remote Similarity 0.6545 NPC139506
Remote Similarity 0.6543 NPC141353
Remote Similarity 0.6529 NPC203754
Remote Similarity 0.6529 NPC150048
Remote Similarity 0.6524 NPC131718
Remote Similarity 0.6519 NPC161292
Remote Similarity 0.6509 NPC34508
Remote Similarity 0.65 NPC222982
Remote Similarity 0.65 NPC288232
Remote Similarity 0.6477 NPC473815
Remote Similarity 0.6475 NPC314141
Remote Similarity 0.6474 NPC60553
Remote Similarity 0.6471 NPC166667
Remote Similarity 0.6471 NPC329688
Remote Similarity 0.6471 NPC189812
Remote Similarity 0.6467 NPC278887
Remote Similarity 0.6463 NPC471122
Remote Similarity 0.646 NPC184161
Remote Similarity 0.6456 NPC146370
Remote Similarity 0.6456 NPC472100
Remote Similarity 0.6456 NPC264589
Remote Similarity 0.645 NPC158129
Remote Similarity 0.6446 NPC204867
Remote Similarity 0.6442 NPC10730
Remote Similarity 0.6442 NPC10875
Remote Similarity 0.6439 NPC228400
Remote Similarity 0.6439 NPC214200
Remote Similarity 0.6438 NPC144691
Remote Similarity 0.6438 NPC318086
Remote Similarity 0.6434 NPC215351
Remote Similarity 0.6434 NPC20142
Remote Similarity 0.6433 NPC311330
Remote Similarity 0.6418 NPC150254
Remote Similarity 0.6418 NPC304761
Remote Similarity 0.6418 NPC147000
Remote Similarity 0.6418 NPC226778
Remote Similarity 0.6415 NPC254798
Remote Similarity 0.6412 NPC290515
Remote Similarity 0.6412 NPC303611
Remote Similarity 0.6412 NPC474409
Remote Similarity 0.6412 NPC164514
Remote Similarity 0.6412 NPC226096
Remote Similarity 0.6412 NPC108606
Remote Similarity 0.6412 NPC313791
Remote Similarity 0.641 NPC472241
Remote Similarity 0.6409 NPC205403
Remote Similarity 0.6405 NPC159589
Remote Similarity 0.64 NPC314098
Remote Similarity 0.64 NPC471742
Remote Similarity 0.6397 NPC79618
Remote Similarity 0.6395 NPC293472
Remote Similarity 0.6391 NPC469915
Remote Similarity 0.6391 NPC126481
Remote Similarity 0.6391 NPC327226
Remote Similarity 0.6389 NPC130931
Remote Similarity 0.6383 NPC101139
Remote Similarity 0.637 NPC211551
Remote Similarity 0.6358 NPC472443
Remote Similarity 0.6358 NPC153769
Remote Similarity 0.6358 NPC270009
Remote Similarity 0.6347 NPC313757
Remote Similarity 0.6346 NPC314113
Remote Similarity 0.6343 NPC470317
Remote Similarity 0.634 NPC173295
Remote Similarity 0.6337 NPC129624
Remote Similarity 0.6328 NPC150308
Remote Similarity 0.6325 NPC27904
Remote Similarity 0.6325 NPC320064
Remote Similarity 0.6316 NPC208060
Remote Similarity 0.6312 NPC212799
Remote Similarity 0.631 NPC471124
Remote Similarity 0.6301 NPC268534
Remote Similarity 0.6289 NPC472242
Remote Similarity 0.6287 NPC224632
Remote Similarity 0.6286 NPC477891
Remote Similarity 0.6286 NPC192270
Remote Similarity 0.6286 NPC144114
Remote Similarity 0.6286 NPC475962
Remote Similarity 0.6284 NPC474479
Remote Similarity 0.6282 NPC242933
Remote Similarity 0.6279 NPC470548
Remote Similarity 0.6272 NPC472115
Remote Similarity 0.6272 NPC472114
Remote Similarity 0.6271 NPC476319
Remote Similarity 0.6266 NPC308197
Remote Similarity 0.6265 NPC291359
Remote Similarity 0.6258 NPC287358
Remote Similarity 0.6257 NPC18890
Remote Similarity 0.6257 NPC85482
Remote Similarity 0.625 NPC313466
Remote Similarity 0.625 NPC48938
Remote Similarity 0.625 NPC229353
Remote Similarity 0.625 NPC472444
Remote Similarity 0.625 NPC78154
Remote Similarity 0.6242 NPC29285
Remote Similarity 0.6242 NPC22082
Remote Similarity 0.6242 NPC186284
Remote Similarity 0.6235 NPC278874
Remote Similarity 0.6235 NPC317430
Remote Similarity 0.6235 NPC154293
Remote Similarity 0.6235 NPC44161
Remote Similarity 0.6229 NPC478032
Remote Similarity 0.6228 NPC472102
Remote Similarity 0.6228 NPC474058
Remote Similarity 0.6228 NPC309531
Remote Similarity 0.6225 NPC472245
Remote Similarity 0.6222 NPC474430
Remote Similarity 0.622 NPC26872
Remote Similarity 0.6213 NPC70172
Remote Similarity 0.6207 NPC283152
Remote Similarity 0.6205 NPC26850
Remote Similarity 0.6203 NPC470090
Remote Similarity 0.6196 NPC475763
Remote Similarity 0.6194 NPC237227
Remote Similarity 0.619 NPC230942
Remote Similarity 0.619 NPC315498
Remote Similarity 0.619 NPC286871
Remote Similarity 0.619 NPC472117
Remote Similarity 0.6188 NPC471598
Remote Similarity 0.6188 NPC92803
Remote Similarity 0.6182 NPC470507
Remote Similarity 0.6181 NPC313449
Remote Similarity 0.6178 NPC204156
Remote Similarity 0.6178 NPC47986
Remote Similarity 0.6178 NPC315051
Remote Similarity 0.6173 NPC242000
Remote Similarity 0.6171 NPC88363
Remote Similarity 0.6171 NPC72980
Remote Similarity 0.6168 NPC84508
Remote Similarity 0.6168 NPC230869
Remote Similarity 0.6163 NPC476688
Remote Similarity 0.6163 NPC105758
Remote Similarity 0.6163 NPC476686
Remote Similarity 0.6159 NPC76327
Remote Similarity 0.6159 NPC434
Remote Similarity 0.6159 NPC278451
Remote Similarity 0.6158 NPC19679
Remote Similarity 0.6154 NPC189116
Remote Similarity 0.6154 NPC159319
Remote Similarity 0.6154 NPC311276
Remote Similarity 0.6149 NPC134586
Remote Similarity 0.6148 NPC291610
Remote Similarity 0.6145 NPC94167
Remote Similarity 0.6145 NPC172937
Remote Similarity 0.6145 NPC315257
Remote Similarity 0.6145 NPC90415
Remote Similarity 0.6141 NPC470787
Remote Similarity 0.6141 NPC242209
Remote Similarity 0.6141 NPC472539
Remote Similarity 0.6141 NPC472540
Remote Similarity 0.6139 NPC168861

Drug Structure

External Identifiers

TTD   DCL000867
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   114709
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  254.11
ALogP  -0.5228
MLogP  2.67
XLogP  4.851
HDA  4
HBD  3
Rotatable Bonds  3
TPSA  67.55
RO5 Violation  0