Drug Information

Drug ID:  NPD1080
Drug Name:  Lacosamide
Molecular Formula:  C13H18N2O3
Canonical SMILES:  COC[C@H](C(=NCc1ccccc1)O)N=C(O)C
Standard InCHI:  InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
Standard InCHIKey:  VPPJLAIAVCUEMN-GFCCVEGCSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD1080

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 0.8495 NPC245259
Intermediate Similarity 0.828 NPC470877
Intermediate Similarity 0.8229 NPC161972
Intermediate Similarity 0.8229 NPC303045
Intermediate Similarity 0.8191 NPC141139
Intermediate Similarity 0.8191 NPC159178
Intermediate Similarity 0.8191 NPC209764
Intermediate Similarity 0.8191 NPC78041
Intermediate Similarity 0.8191 NPC471307
Intermediate Similarity 0.8191 NPC121872
Intermediate Similarity 0.8191 NPC74936
Intermediate Similarity 0.8144 NPC25565
Intermediate Similarity 0.8105 NPC226438
Intermediate Similarity 0.8065 NPC471638
Intermediate Similarity 0.8065 NPC473031
Intermediate Similarity 0.8061 NPC475439
Intermediate Similarity 0.8061 NPC473501
Intermediate Similarity 0.8041 NPC58674
Intermediate Similarity 0.7941 NPC113326
Intermediate Similarity 0.7941 NPC88267
Intermediate Similarity 0.7941 NPC194390
Intermediate Similarity 0.7941 NPC224610
Intermediate Similarity 0.7938 NPC471309
Intermediate Similarity 0.7879 NPC311242
Intermediate Similarity 0.7789 NPC12429
Intermediate Similarity 0.7629 NPC316108
Intermediate Similarity 0.7523 NPC273814
Intermediate Similarity 0.75 NPC169328
Intermediate Similarity 0.75 NPC471317
Intermediate Similarity 0.75 NPC202613
Intermediate Similarity 0.7474 NPC3210
Intermediate Similarity 0.7453 NPC327481
Intermediate Similarity 0.7449 NPC78154
Intermediate Similarity 0.7449 NPC172128
Intermediate Similarity 0.7434 NPC310467
Intermediate Similarity 0.7396 NPC203076
Intermediate Similarity 0.7379 NPC12730
Intermediate Similarity 0.7358 NPC211551
Intermediate Similarity 0.734 NPC14326
Intermediate Similarity 0.7333 NPC471310
Intermediate Similarity 0.7321 NPC197470
Intermediate Similarity 0.7304 NPC477061
Intermediate Similarity 0.7304 NPC45777
Intermediate Similarity 0.7281 NPC237420
Intermediate Similarity 0.7253 NPC271642
Intermediate Similarity 0.7245 NPC325441
Intermediate Similarity 0.7222 NPC299134
Intermediate Similarity 0.7174 NPC325662
Intermediate Similarity 0.7174 NPC98269
Intermediate Similarity 0.717 NPC164859
Intermediate Similarity 0.7143 NPC98976
Intermediate Similarity 0.7143 NPC469457
Intermediate Similarity 0.7143 NPC1986
Intermediate Similarity 0.7143 NPC474544
Intermediate Similarity 0.7129 NPC265521
Intermediate Similarity 0.7105 NPC2265
Intermediate Similarity 0.71 NPC258627
Intermediate Similarity 0.7087 NPC471320
Intermediate Similarity 0.7087 NPC471319
Intermediate Similarity 0.7083 NPC15839
Intermediate Similarity 0.7054 NPC474584
Intermediate Similarity 0.7027 NPC319579
Intermediate Similarity 0.7019 NPC33168
Intermediate Similarity 0.7009 NPC478015
Intermediate Similarity 0.7009 NPC476990
Intermediate Similarity 0.7009 NPC80150
Intermediate Similarity 0.7009 NPC478016
Intermediate Similarity 0.7009 NPC478014
Remote Similarity 0.6991 NPC35850
Remote Similarity 0.6991 NPC276949
Remote Similarity 0.699 NPC108339
Remote Similarity 0.6983 NPC314992
Remote Similarity 0.6981 NPC228400
Remote Similarity 0.6981 NPC214200
Remote Similarity 0.6964 NPC329011
Remote Similarity 0.6949 NPC202521
Remote Similarity 0.693 NPC118202
Remote Similarity 0.693 NPC33742
Remote Similarity 0.6923 NPC244738
Remote Similarity 0.6915 NPC12857
Remote Similarity 0.6907 NPC119677
Remote Similarity 0.6893 NPC476483
Remote Similarity 0.6891 NPC252878
Remote Similarity 0.6889 NPC219246
Remote Similarity 0.6881 NPC143516
Remote Similarity 0.6875 NPC307456
Remote Similarity 0.687 NPC317254
Remote Similarity 0.687 NPC188010
Remote Similarity 0.6864 NPC190663
Remote Similarity 0.686 NPC4974
Remote Similarity 0.6848 NPC112609
Remote Similarity 0.6848 NPC113000
Remote Similarity 0.6848 NPC122327
Remote Similarity 0.6833 NPC46427
Remote Similarity 0.6833 NPC6975
Remote Similarity 0.6818 NPC471447
Remote Similarity 0.6818 NPC130898
Remote Similarity 0.6818 NPC474973
Remote Similarity 0.6818 NPC231705
Remote Similarity 0.6818 NPC474804
Remote Similarity 0.681 NPC239357
Remote Similarity 0.681 NPC470544
Remote Similarity 0.68 NPC198747
Remote Similarity 0.6792 NPC226096
Remote Similarity 0.6792 NPC108606
Remote Similarity 0.6792 NPC164514
Remote Similarity 0.6792 NPC303611
Remote Similarity 0.6792 NPC290515
Remote Similarity 0.6783 NPC471318
Remote Similarity 0.6771 NPC192623
Remote Similarity 0.6752 NPC254088
Remote Similarity 0.6752 NPC470545
Remote Similarity 0.675 NPC160493
Remote Similarity 0.6733 NPC262393
Remote Similarity 0.6724 NPC101139
Remote Similarity 0.6723 NPC471308
Remote Similarity 0.6723 NPC17388
Remote Similarity 0.6723 NPC289330
Remote Similarity 0.6723 NPC476183
Remote Similarity 0.6723 NPC160120
Remote Similarity 0.6723 NPC53596
Remote Similarity 0.6721 NPC47667
Remote Similarity 0.6697 NPC178902
Remote Similarity 0.6697 NPC178681
Remote Similarity 0.6695 NPC470546
Remote Similarity 0.6694 NPC35996
Remote Similarity 0.6667 NPC82963
Remote Similarity 0.6667 NPC476281
Remote Similarity 0.6667 NPC315276
Remote Similarity 0.6667 NPC14672
Remote Similarity 0.6667 NPC285926
Remote Similarity 0.6667 NPC476184
Remote Similarity 0.6639 NPC283760
Remote Similarity 0.6637 NPC258056
Remote Similarity 0.6636 NPC226778
Remote Similarity 0.6636 NPC150254
Remote Similarity 0.6636 NPC304761
Remote Similarity 0.6636 NPC275467
Remote Similarity 0.6636 NPC147000
Remote Similarity 0.6632 NPC290638
Remote Similarity 0.6613 NPC319766
Remote Similarity 0.661 NPC311737
Remote Similarity 0.661 NPC38458
Remote Similarity 0.6607 NPC142297
Remote Similarity 0.6606 NPC329375
Remote Similarity 0.6604 NPC3371
Remote Similarity 0.6598 NPC309279
Remote Similarity 0.6583 NPC200964
Remote Similarity 0.6579 NPC474149
Remote Similarity 0.6571 NPC469330
Remote Similarity 0.6571 NPC474974
Remote Similarity 0.6566 NPC104070
Remote Similarity 0.6557 NPC474082
Remote Similarity 0.6557 NPC471315
Remote Similarity 0.6557 NPC476278
Remote Similarity 0.6557 NPC175726
Remote Similarity 0.6557 NPC283130
Remote Similarity 0.6557 NPC471314
Remote Similarity 0.6557 NPC328683
Remote Similarity 0.6549 NPC473676
Remote Similarity 0.6542 NPC10781
Remote Similarity 0.6542 NPC293628
Remote Similarity 0.6542 NPC122493
Remote Similarity 0.6538 NPC470926
Remote Similarity 0.6535 NPC325479
Remote Similarity 0.6535 NPC246913
Remote Similarity 0.6531 NPC231986
Remote Similarity 0.6529 NPC71684
Remote Similarity 0.6526 NPC139658
Remote Similarity 0.6522 NPC229235
Remote Similarity 0.6518 NPC191215
Remote Similarity 0.6518 NPC45033
Remote Similarity 0.6518 NPC274089
Remote Similarity 0.6509 NPC215351
Remote Similarity 0.6509 NPC20142
Remote Similarity 0.6504 NPC476260
Remote Similarity 0.6504 NPC476241
Remote Similarity 0.65 NPC169016
Remote Similarity 0.6496 NPC470550
Remote Similarity 0.6496 NPC205652
Remote Similarity 0.6495 NPC469894
Remote Similarity 0.6484 NPC239931
Remote Similarity 0.6484 NPC82770
Remote Similarity 0.6484 NPC78954
Remote Similarity 0.6481 NPC322598
Remote Similarity 0.648 NPC210950
Remote Similarity 0.648 NPC199738
Remote Similarity 0.6475 NPC474862
Remote Similarity 0.6462 NPC68865
Remote Similarity 0.6457 NPC130309
Remote Similarity 0.6455 NPC327226
Remote Similarity 0.6455 NPC318154
Remote Similarity 0.6452 NPC476179
Remote Similarity 0.6452 NPC476125
Remote Similarity 0.6452 NPC121708
Remote Similarity 0.6452 NPC125144
Remote Similarity 0.6452 NPC208302
Remote Similarity 0.6452 NPC325013
Remote Similarity 0.6449 NPC317400
Remote Similarity 0.6429 NPC67043

Drug Structure

External Identifiers

TTD   DCL000858
DrugBank   DB06218
ChEMBL   CHEMBL58323
IUPHAR/BPS   7472
PharmaGKB  
KEGG Drug   D07299
PubChem CID   219078
ChEBI   135939
CAS Number  175481-36-4

Drug Properties

Molecular Weight  250.13
ALogP  -0.5632
MLogP  2.34
XLogP  2.301
HDA  5
HBD  2
Rotatable Bonds  10
TPSA  74.41
RO5 Violation  0