Drug Information

Drug ID:  NPD4031
Drug Name:  Indecainide Hydrochloride
Molecular Formula:  C20H24N2O.ClH
Canonical SMILES:  CC(NCCCC1(C(=N)O)c2ccccc2c2c1cccc2)C.Cl
Standard InCHI:  InChI=1S/C20H24N2O.ClH/c1-14(2)22-13-7-12-20(19(21)23)17-10-5-3-8-15(17)16-9-4-6-11-18(16)20;/h3-6,8-11,14,22H,7,12-13H2,1-2H3,(H2,21,23);1H
Standard InCHIKey:  NXNSCUZKMVYAJQ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD4031

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 0.7597 NPC40488
Intermediate Similarity 0.754 NPC109151
Intermediate Similarity 0.746 NPC273830
Intermediate Similarity 0.7364 NPC172128
Intermediate Similarity 0.7206 NPC478140
Intermediate Similarity 0.713 NPC311242
Intermediate Similarity 0.7111 NPC3202
Intermediate Similarity 0.7059 NPC132847
Intermediate Similarity 0.7054 NPC71684
Intermediate Similarity 0.7037 NPC246913
Remote Similarity 0.6992 NPC319579
Remote Similarity 0.6972 NPC472103
Remote Similarity 0.6972 NPC133162
Remote Similarity 0.6957 NPC329430
Remote Similarity 0.6957 NPC161972
Remote Similarity 0.6957 NPC303045
Remote Similarity 0.6917 NPC304761
Remote Similarity 0.6917 NPC226778
Remote Similarity 0.6917 NPC150254
Remote Similarity 0.6917 NPC147000
Remote Similarity 0.6911 NPC65855
Remote Similarity 0.6911 NPC292758
Remote Similarity 0.6903 NPC316108
Remote Similarity 0.6897 NPC25565
Remote Similarity 0.6861 NPC149379
Remote Similarity 0.686 NPC211551
Remote Similarity 0.6842 NPC226438
Remote Similarity 0.6838 NPC475439
Remote Similarity 0.6838 NPC473501
Remote Similarity 0.6838 NPC33168
Remote Similarity 0.6814 NPC470877
Remote Similarity 0.6807 NPC474582
Remote Similarity 0.6803 NPC327481
Remote Similarity 0.6759 NPC192623
Remote Similarity 0.6754 NPC209764
Remote Similarity 0.6754 NPC141139
Remote Similarity 0.6754 NPC471307
Remote Similarity 0.6754 NPC121872
Remote Similarity 0.6754 NPC159178
Remote Similarity 0.6754 NPC78041
Remote Similarity 0.6754 NPC74936
Remote Similarity 0.675 NPC327226
Remote Similarity 0.6738 NPC153007
Remote Similarity 0.6733 NPC93343
Remote Similarity 0.6719 NPC101139
Remote Similarity 0.6691 NPC267237
Remote Similarity 0.669 NPC211468
Remote Similarity 0.669 NPC170170
Remote Similarity 0.669 NPC219233
Remote Similarity 0.6667 NPC58674
Remote Similarity 0.6667 NPC477937
Remote Similarity 0.6667 NPC470544
Remote Similarity 0.6667 NPC473922
Remote Similarity 0.6643 NPC323123
Remote Similarity 0.6641 NPC33742
Remote Similarity 0.6639 NPC56168
Remote Similarity 0.6639 NPC290515
Remote Similarity 0.6639 NPC303611
Remote Similarity 0.6639 NPC226096
Remote Similarity 0.6639 NPC164514
Remote Similarity 0.6639 NPC108606
Remote Similarity 0.6621 NPC311330
Remote Similarity 0.6615 NPC470545
Remote Similarity 0.6614 NPC474584
Remote Similarity 0.6594 NPC126859
Remote Similarity 0.6594 NPC259665
Remote Similarity 0.6594 NPC89769
Remote Similarity 0.6585 NPC474695
Remote Similarity 0.6585 NPC67043
Remote Similarity 0.6581 NPC471309
Remote Similarity 0.6575 NPC475578
Remote Similarity 0.6573 NPC243162
Remote Similarity 0.6569 NPC268763
Remote Similarity 0.6569 NPC8305
Remote Similarity 0.6569 NPC111428
Remote Similarity 0.6569 NPC66177
Remote Similarity 0.6567 NPC35996
Remote Similarity 0.6565 NPC470546
Remote Similarity 0.6552 NPC470926
Remote Similarity 0.6531 NPC264589
Remote Similarity 0.6529 NPC214200
Remote Similarity 0.6529 NPC228400
Remote Similarity 0.6529 NPC469457
Remote Similarity 0.6522 NPC271808
Remote Similarity 0.6518 NPC169016
Remote Similarity 0.6515 NPC283760
Remote Similarity 0.6512 NPC246904
Remote Similarity 0.6508 NPC24777
Remote Similarity 0.6504 NPC194390
Remote Similarity 0.6504 NPC113326
Remote Similarity 0.6504 NPC88267
Remote Similarity 0.6504 NPC224610
Remote Similarity 0.6503 NPC214988
Remote Similarity 0.6491 NPC60408
Remote Similarity 0.6491 NPC471638
Remote Similarity 0.6471 NPC472414
Remote Similarity 0.6471 NPC21959
Remote Similarity 0.6466 NPC476990
Remote Similarity 0.6463 NPC44649
Remote Similarity 0.6463 NPC328824
Remote Similarity 0.6462 NPC473573
Remote Similarity 0.6439 NPC314992
Remote Similarity 0.6435 NPC12429
Remote Similarity 0.6434 NPC35850
Remote Similarity 0.6434 NPC276949
Remote Similarity 0.6429 NPC42423
Remote Similarity 0.6429 NPC119677
Remote Similarity 0.6423 NPC164859
Remote Similarity 0.6418 NPC202521
Remote Similarity 0.6417 NPC324569
Remote Similarity 0.6412 NPC2265
Remote Similarity 0.6412 NPC82963
Remote Similarity 0.641 NPC220596
Remote Similarity 0.6406 NPC329011
Remote Similarity 0.6405 NPC217801
Remote Similarity 0.6404 NPC203076
Remote Similarity 0.6404 NPC258046
Remote Similarity 0.6404 NPC243166
Remote Similarity 0.6403 NPC124802
Remote Similarity 0.6396 NPC231986
Remote Similarity 0.6393 NPC289117
Remote Similarity 0.6389 NPC139658
Remote Similarity 0.6387 NPC215351
Remote Similarity 0.6387 NPC20142
Remote Similarity 0.6387 NPC108339
Remote Similarity 0.6383 NPC302171
Remote Similarity 0.6383 NPC300020
Remote Similarity 0.6383 NPC33338
Remote Similarity 0.6376 NPC476757
Remote Similarity 0.637 NPC471516
Remote Similarity 0.637 NPC252878
Remote Similarity 0.6364 NPC137096
Remote Similarity 0.6364 NPC311737
Remote Similarity 0.6364 NPC38458
Remote Similarity 0.6358 NPC207824
Remote Similarity 0.6358 NPC60538
Remote Similarity 0.6357 NPC126458
Remote Similarity 0.6357 NPC255447
Remote Similarity 0.6348 NPC198747
Remote Similarity 0.6346 NPC472121
Remote Similarity 0.6341 NPC318154
Remote Similarity 0.6338 NPC90693
Remote Similarity 0.6338 NPC64897
Remote Similarity 0.6336 NPC197470
Remote Similarity 0.6333 NPC471320
Remote Similarity 0.6333 NPC471319
Remote Similarity 0.6331 NPC71271
Remote Similarity 0.6331 NPC295478
Remote Similarity 0.6325 NPC258627
Remote Similarity 0.6324 NPC6975
Remote Similarity 0.6324 NPC472415
Remote Similarity 0.6324 NPC46427
Remote Similarity 0.6323 NPC235460
Remote Similarity 0.6319 NPC132636
Remote Similarity 0.6316 NPC275839
Remote Similarity 0.6316 NPC85276
Remote Similarity 0.6312 NPC326966
Remote Similarity 0.6309 NPC472100
Remote Similarity 0.6304 NPC318965
Remote Similarity 0.6304 NPC278097
Remote Similarity 0.6304 NPC119326
Remote Similarity 0.6301 NPC168861
Remote Similarity 0.6299 NPC285469
Remote Similarity 0.6296 NPC316896
Remote Similarity 0.6294 NPC475318
Remote Similarity 0.6294 NPC49577
Remote Similarity 0.6294 NPC151706
Remote Similarity 0.6294 NPC474811
Remote Similarity 0.6294 NPC476102
Remote Similarity 0.6294 NPC475598
Remote Similarity 0.6294 NPC90194
Remote Similarity 0.6294 NPC118099
Remote Similarity 0.6294 NPC474787
Remote Similarity 0.6294 NPC260045
Remote Similarity 0.6294 NPC9687
Remote Similarity 0.6294 NPC293377
Remote Similarity 0.6294 NPC76785
Remote Similarity 0.6294 NPC79465
Remote Similarity 0.6294 NPC273907
Remote Similarity 0.6294 NPC474855
Remote Similarity 0.629 NPC68055
Remote Similarity 0.6288 NPC14672
Remote Similarity 0.6288 NPC315276
Remote Similarity 0.6288 NPC285926
Remote Similarity 0.6286 NPC325651
Remote Similarity 0.6281 NPC293628
Remote Similarity 0.6281 NPC122493
Remote Similarity 0.6281 NPC10781
Remote Similarity 0.6279 NPC275410
Remote Similarity 0.6277 NPC222466
Remote Similarity 0.6276 NPC231163
Remote Similarity 0.6276 NPC318591
Remote Similarity 0.6275 NPC76213
Remote Similarity 0.6275 NPC277669
Remote Similarity 0.6271 NPC79917
Remote Similarity 0.6271 NPC245259
Remote Similarity 0.627 NPC191215
Remote Similarity 0.627 NPC473498
Remote Similarity 0.627 NPC274089
Remote Similarity 0.626 NPC470550

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  308.19
ALogP  -1.0336
MLogP  3.33
XLogP  6.845
HDA  3
HBD  3
Rotatable Bonds  9
TPSA  56.11
RO5 Violation  1