Drug Information

Drug ID:  NPD564
Drug Name:  Tocainide
Molecular Formula:  C11H16N2O
Canonical SMILES:  CC(C(=Nc1c(C)cccc1C)O)N
Standard InCHI:  InChI=1S/C11H16N2O/c1-7-5-4-6-8(2)10(7)13-11(14)9(3)12/h4-6,9H,12H2,1-3H3,(H,13,14)
Standard InCHIKey:  BUJAGSGYPOAWEI-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD564

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 0.8283 NPC78154
Intermediate Similarity 0.7723 NPC111233
Intermediate Similarity 0.7576 NPC15839
Intermediate Similarity 0.75 NPC470550
Intermediate Similarity 0.75 NPC205652
Intermediate Similarity 0.7476 NPC470877
Intermediate Similarity 0.7455 NPC178681
Intermediate Similarity 0.7404 NPC78041
Intermediate Similarity 0.7404 NPC121872
Intermediate Similarity 0.7404 NPC209764
Intermediate Similarity 0.7404 NPC74936
Intermediate Similarity 0.7404 NPC471307
Intermediate Similarity 0.7404 NPC159178
Intermediate Similarity 0.7404 NPC141139
Intermediate Similarity 0.7374 NPC307456
Intermediate Similarity 0.7345 NPC37584
Intermediate Similarity 0.729 NPC161972
Intermediate Similarity 0.729 NPC303045
Intermediate Similarity 0.7282 NPC473031
Intermediate Similarity 0.7282 NPC262295
Intermediate Similarity 0.7257 NPC327481
Intermediate Similarity 0.7222 NPC25565
Intermediate Similarity 0.7196 NPC471309
Intermediate Similarity 0.7196 NPC476483
Intermediate Similarity 0.717 NPC226438
Intermediate Similarity 0.7156 NPC475439
Intermediate Similarity 0.7156 NPC473501
Intermediate Similarity 0.7143 NPC325662
Intermediate Similarity 0.7143 NPC98269
Intermediate Similarity 0.7131 NPC317564
Intermediate Similarity 0.7115 NPC471638
Intermediate Similarity 0.7075 NPC316108
Intermediate Similarity 0.7075 NPC92689
Intermediate Similarity 0.7059 NPC119677
Intermediate Similarity 0.7054 NPC476687
Intermediate Similarity 0.7054 NPC476685
Intermediate Similarity 0.7054 NPC476689
Intermediate Similarity 0.7048 NPC30445
Intermediate Similarity 0.7048 NPC12429
Intermediate Similarity 0.7037 NPC469330
Intermediate Similarity 0.7009 NPC245259
Intermediate Similarity 0.7 NPC311242
Remote Similarity 0.6984 NPC474926
Remote Similarity 0.696 NPC283130
Remote Similarity 0.696 NPC328683
Remote Similarity 0.6942 NPC313673
Remote Similarity 0.6916 NPC191444
Remote Similarity 0.6909 NPC471320
Remote Similarity 0.6909 NPC471319
Remote Similarity 0.6891 NPC474584
Remote Similarity 0.6889 NPC316202
Remote Similarity 0.6864 NPC319579
Remote Similarity 0.6842 NPC164859
Remote Similarity 0.6842 NPC474430
Remote Similarity 0.6838 NPC164802
Remote Similarity 0.6838 NPC302790
Remote Similarity 0.6837 NPC122327
Remote Similarity 0.6837 NPC112609
Remote Similarity 0.6837 NPC113000
Remote Similarity 0.6833 NPC314141
Remote Similarity 0.6822 NPC173991
Remote Similarity 0.6822 NPC176858
Remote Similarity 0.6818 NPC108339
Remote Similarity 0.6807 NPC329011
Remote Similarity 0.6803 NPC147957
Remote Similarity 0.68 NPC290638
Remote Similarity 0.6789 NPC108800
Remote Similarity 0.6783 NPC88267
Remote Similarity 0.6783 NPC275467
Remote Similarity 0.6783 NPC194390
Remote Similarity 0.6783 NPC113326
Remote Similarity 0.6783 NPC224610
Remote Similarity 0.6748 NPC313449
Remote Similarity 0.6744 NPC476950
Remote Similarity 0.6739 NPC472103
Remote Similarity 0.6738 NPC187951
Remote Similarity 0.6733 NPC12857
Remote Similarity 0.6721 NPC197470
Remote Similarity 0.672 NPC316582
Remote Similarity 0.6701 NPC219246
Remote Similarity 0.6698 NPC203076
Remote Similarity 0.6696 NPC202613
Remote Similarity 0.6696 NPC471317
Remote Similarity 0.6696 NPC471310
Remote Similarity 0.6694 NPC264580
Remote Similarity 0.6694 NPC187036
Remote Similarity 0.6691 NPC243162
Remote Similarity 0.6667 NPC38736
Remote Similarity 0.6667 NPC58674
Remote Similarity 0.6667 NPC314287
Remote Similarity 0.6667 NPC2265
Remote Similarity 0.6667 NPC287358
Remote Similarity 0.6643 NPC314372
Remote Similarity 0.6635 NPC14326
Remote Similarity 0.662 NPC37548
Remote Similarity 0.6615 NPC72473
Remote Similarity 0.6615 NPC307437
Remote Similarity 0.6615 NPC478079
Remote Similarity 0.6615 NPC58827
Remote Similarity 0.6613 NPC192209
Remote Similarity 0.661 NPC172170
Remote Similarity 0.6609 NPC291610
Remote Similarity 0.6606 NPC172128
Remote Similarity 0.6604 NPC3210
Remote Similarity 0.66 NPC276699
Remote Similarity 0.6589 NPC325013
Remote Similarity 0.6579 NPC12730
Remote Similarity 0.6565 NPC101372
Remote Similarity 0.656 NPC314992
Remote Similarity 0.6557 NPC296163
Remote Similarity 0.6552 NPC207726
Remote Similarity 0.6535 NPC139658
Remote Similarity 0.6535 NPC271642
Remote Similarity 0.6531 NPC229235
Remote Similarity 0.6515 NPC226662
Remote Similarity 0.6512 NPC317758
Remote Similarity 0.6509 NPC169016
Remote Similarity 0.6508 NPC283760
Remote Similarity 0.65 NPC190296
Remote Similarity 0.65 NPC299134
Remote Similarity 0.6491 NPC164514
Remote Similarity 0.6491 NPC226096
Remote Similarity 0.6491 NPC290515
Remote Similarity 0.6491 NPC303611
Remote Similarity 0.6491 NPC108606
Remote Similarity 0.6443 NPC16667
Remote Similarity 0.6442 NPC192623
Remote Similarity 0.6438 NPC470507
Remote Similarity 0.6436 NPC301874
Remote Similarity 0.6436 NPC98976
Remote Similarity 0.6429 NPC228515
Remote Similarity 0.6423 NPC122553
Remote Similarity 0.6422 NPC325441
Remote Similarity 0.6419 NPC67056
Remote Similarity 0.6415 NPC134825
Remote Similarity 0.6408 NPC259678
Remote Similarity 0.6406 NPC71684
Remote Similarity 0.6406 NPC475915
Remote Similarity 0.6404 NPC293628
Remote Similarity 0.6404 NPC122493
Remote Similarity 0.6404 NPC10781
Remote Similarity 0.64 NPC194640
Remote Similarity 0.6395 NPC285469
Remote Similarity 0.6393 NPC275410
Remote Similarity 0.6391 NPC314431
Remote Similarity 0.6391 NPC472245
Remote Similarity 0.6389 NPC124005
Remote Similarity 0.6387 NPC473498
Remote Similarity 0.6376 NPC68650
Remote Similarity 0.6372 NPC329430
Remote Similarity 0.637 NPC25008
Remote Similarity 0.637 NPC469760
Remote Similarity 0.637 NPC259644
Remote Similarity 0.637 NPC469786
Remote Similarity 0.637 NPC73952
Remote Similarity 0.637 NPC469765
Remote Similarity 0.637 NPC469763
Remote Similarity 0.6364 NPC271732
Remote Similarity 0.6356 NPC147000
Remote Similarity 0.6356 NPC150254
Remote Similarity 0.6356 NPC226778
Remote Similarity 0.6356 NPC304761
Remote Similarity 0.6345 NPC105818
Remote Similarity 0.6345 NPC24678
Remote Similarity 0.6343 NPC316746
Remote Similarity 0.6338 NPC242556
Remote Similarity 0.6327 NPC211572
Remote Similarity 0.6327 NPC212376
Remote Similarity 0.6327 NPC80597
Remote Similarity 0.6327 NPC75540
Remote Similarity 0.6327 NPC70922
Remote Similarity 0.6324 NPC184437
Remote Similarity 0.632 NPC101139
Remote Similarity 0.632 NPC288232
Remote Similarity 0.6316 NPC259098
Remote Similarity 0.6316 NPC197680
Remote Similarity 0.6316 NPC150863
Remote Similarity 0.6308 NPC35996
Remote Similarity 0.6306 NPC258627
Remote Similarity 0.6304 NPC325252
Remote Similarity 0.6304 NPC218268
Remote Similarity 0.6303 NPC67043
Remote Similarity 0.6303 NPC211551
Remote Similarity 0.6299 NPC81561
Remote Similarity 0.6296 NPC40364
Remote Similarity 0.6296 NPC22079
Remote Similarity 0.6294 NPC159856
Remote Similarity 0.6294 NPC264589
Remote Similarity 0.6291 NPC472587
Remote Similarity 0.629 NPC276949
Remote Similarity 0.629 NPC35850
Remote Similarity 0.6288 NPC322433
Remote Similarity 0.6283 NPC7067
Remote Similarity 0.6281 NPC77294
Remote Similarity 0.6279 NPC215519
Remote Similarity 0.6273 NPC262393
Remote Similarity 0.6268 NPC311330
Remote Similarity 0.6261 NPC33168
Remote Similarity 0.6261 NPC324569
Remote Similarity 0.625 NPC254798

Drug Structure

External Identifiers

TTD   DAP000517
DrugBank   DB01056
ChEMBL   CHEMBL1762
IUPHAR/BPS   7309
PharmaGKB   PA451706
KEGG Drug   D06172
PubChem CID   38945
ChEBI   9611
CAS Number  41708-72-9

Drug Properties

Molecular Weight  192.13
ALogP  0.3467
MLogP  2.34
XLogP  2.486
HDA  3
HBD  2
Rotatable Bonds  7
TPSA  58.61
RO5 Violation  0