Drug Information

Drug ID:  NPD1123
Drug Name:  Procainamide Hydrochloride
Molecular Formula:  C13H21N3O.ClH
Canonical SMILES:  CCN(CCNC(=O)c1ccc(cc1)N)CC.Cl
Standard InCHI:  InChI=1S/C13H21N3O.ClH/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17);1H
Standard InCHIKey:  ABTXGJFUQRCPNH-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1123

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
High Similarity 0.878 NPC322433
Intermediate Similarity 0.845 NPC162417
Intermediate Similarity 0.845 NPC316104
Intermediate Similarity 0.8167 NPC57051
Intermediate Similarity 0.8065 NPC226143
Intermediate Similarity 0.7941 NPC471164
Intermediate Similarity 0.7863 NPC38262
Intermediate Similarity 0.7727 NPC472245
Intermediate Similarity 0.7578 NPC179605
Intermediate Similarity 0.7578 NPC279385
Intermediate Similarity 0.7557 NPC470343
Intermediate Similarity 0.7557 NPC472244
Intermediate Similarity 0.7521 NPC172170
Intermediate Similarity 0.7519 NPC103292
Intermediate Similarity 0.7519 NPC150863
Intermediate Similarity 0.75 NPC291962
Intermediate Similarity 0.75 NPC177684
Intermediate Similarity 0.7463 NPC314431
Intermediate Similarity 0.7463 NPC280807
Intermediate Similarity 0.7442 NPC112373
Intermediate Similarity 0.7442 NPC258531
Intermediate Similarity 0.7442 NPC161956
Intermediate Similarity 0.7429 NPC2823
Intermediate Similarity 0.741 NPC319645
Intermediate Similarity 0.7405 NPC254698
Intermediate Similarity 0.7376 NPC472241
Intermediate Similarity 0.7353 NPC207428
Intermediate Similarity 0.7279 NPC126458
Intermediate Similarity 0.7252 NPC257490
Intermediate Similarity 0.7234 NPC242933
Intermediate Similarity 0.7234 NPC472243
Intermediate Similarity 0.7222 NPC472242
Intermediate Similarity 0.7218 NPC192533
Intermediate Similarity 0.7197 NPC268534
Intermediate Similarity 0.7153 NPC314098
Intermediate Similarity 0.7152 NPC14849
Intermediate Similarity 0.7101 NPC40364
Intermediate Similarity 0.7097 NPC55529
Intermediate Similarity 0.7095 NPC314223
Intermediate Similarity 0.7092 NPC122553
Intermediate Similarity 0.7047 NPC117032
Intermediate Similarity 0.7042 NPC469560
Intermediate Similarity 0.7042 NPC83214
Intermediate Similarity 0.7027 NPC473329
Intermediate Similarity 0.7025 NPC328611
Intermediate Similarity 0.702 NPC84317
Intermediate Similarity 0.7007 NPC209389
Intermediate Similarity 0.7 NPC131450
Intermediate Similarity 0.7 NPC182057
Intermediate Similarity 0.7 NPC147298
Intermediate Similarity 0.7 NPC253476
Remote Similarity 0.6966 NPC478040
Remote Similarity 0.695 NPC300299
Remote Similarity 0.695 NPC173295
Remote Similarity 0.6949 NPC246757
Remote Similarity 0.6949 NPC291070
Remote Similarity 0.6942 NPC75496
Remote Similarity 0.694 NPC39818
Remote Similarity 0.6928 NPC154478
Remote Similarity 0.6917 NPC150323
Remote Similarity 0.6917 NPC27833
Remote Similarity 0.6912 NPC79698
Remote Similarity 0.6903 NPC189116
Remote Similarity 0.6891 NPC256452
Remote Similarity 0.6853 NPC287358
Remote Similarity 0.6835 NPC187231
Remote Similarity 0.6828 NPC43477
Remote Similarity 0.6825 NPC20322
Remote Similarity 0.6824 NPC478039
Remote Similarity 0.6813 NPC248862
Remote Similarity 0.6812 NPC307437
Remote Similarity 0.6812 NPC72473
Remote Similarity 0.6812 NPC58827
Remote Similarity 0.6803 NPC314186
Remote Similarity 0.68 NPC473418
Remote Similarity 0.6795 NPC138293
Remote Similarity 0.6795 NPC113056
Remote Similarity 0.6788 NPC474926
Remote Similarity 0.6788 NPC205946
Remote Similarity 0.6783 NPC471123
Remote Similarity 0.6753 NPC222029
Remote Similarity 0.6724 NPC17497
Remote Similarity 0.6724 NPC305602
Remote Similarity 0.672 NPC275467
Remote Similarity 0.6718 NPC113099
Remote Similarity 0.6714 NPC194562
Remote Similarity 0.6712 NPC470301
Remote Similarity 0.6711 NPC324445
Remote Similarity 0.671 NPC276085
Remote Similarity 0.6709 NPC214960
Remote Similarity 0.6709 NPC279527
Remote Similarity 0.6689 NPC136002
Remote Similarity 0.6687 NPC133003
Remote Similarity 0.6644 NPC315051
Remote Similarity 0.6644 NPC130251
Remote Similarity 0.662 NPC473962
Remote Similarity 0.6614 NPC473498
Remote Similarity 0.6613 NPC326792
Remote Similarity 0.661 NPC173991
Remote Similarity 0.6599 NPC301760
Remote Similarity 0.6594 NPC226794
Remote Similarity 0.6584 NPC292265
Remote Similarity 0.6583 NPC473661
Remote Similarity 0.656 NPC291610
Remote Similarity 0.6535 NPC167336
Remote Similarity 0.6531 NPC207554
Remote Similarity 0.6529 NPC71140
Remote Similarity 0.6525 NPC30445
Remote Similarity 0.6525 NPC111233
Remote Similarity 0.6525 NPC122235
Remote Similarity 0.6519 NPC220698
Remote Similarity 0.6519 NPC229353
Remote Similarity 0.6489 NPC181390
Remote Similarity 0.6486 NPC471574
Remote Similarity 0.6486 NPC316202
Remote Similarity 0.6467 NPC470205
Remote Similarity 0.6467 NPC470822
Remote Similarity 0.6467 NPC470317
Remote Similarity 0.6456 NPC472102
Remote Similarity 0.6456 NPC309531
Remote Similarity 0.6452 NPC295021
Remote Similarity 0.6433 NPC123241
Remote Similarity 0.6433 NPC324091
Remote Similarity 0.6433 NPC61013
Remote Similarity 0.6429 NPC66936
Remote Similarity 0.6423 NPC316582
Remote Similarity 0.6423 NPC130931
Remote Similarity 0.642 NPC472118
Remote Similarity 0.6417 NPC191444
Remote Similarity 0.6407 NPC197335
Remote Similarity 0.6402 NPC469529
Remote Similarity 0.64 NPC308197
Remote Similarity 0.6397 NPC228515
Remote Similarity 0.6393 NPC474974
Remote Similarity 0.6392 NPC36495
Remote Similarity 0.6392 NPC193410
Remote Similarity 0.6389 NPC53044
Remote Similarity 0.6383 NPC250476
Remote Similarity 0.638 NPC318183
Remote Similarity 0.6379 NPC134825
Remote Similarity 0.6377 NPC475915
Remote Similarity 0.6377 NPC71684
Remote Similarity 0.6372 NPC12857
Remote Similarity 0.637 NPC239357
Remote Similarity 0.637 NPC313673
Remote Similarity 0.6369 NPC314659
Remote Similarity 0.6364 NPC477432
Remote Similarity 0.6358 NPC470971
Remote Similarity 0.6353 NPC17273
Remote Similarity 0.6353 NPC135601
Remote Similarity 0.6353 NPC87391
Remote Similarity 0.6353 NPC141612
Remote Similarity 0.6352 NPC248117
Remote Similarity 0.6341 NPC161861
Remote Similarity 0.6341 NPC242269
Remote Similarity 0.6333 NPC176858
Remote Similarity 0.6331 NPC477003
Remote Similarity 0.6329 NPC104345
Remote Similarity 0.6325 NPC169016
Remote Similarity 0.6324 NPC31651
Remote Similarity 0.6319 NPC231382
Remote Similarity 0.6316 NPC313850
Remote Similarity 0.6312 NPC293458
Remote Similarity 0.6303 NPC262295
Remote Similarity 0.6301 NPC474473
Remote Similarity 0.6296 NPC182131
Remote Similarity 0.6291 NPC314287
Remote Similarity 0.6291 NPC469537
Remote Similarity 0.6287 NPC475094
Remote Similarity 0.6281 NPC78154
Remote Similarity 0.6279 NPC476198
Remote Similarity 0.6275 NPC470440
Remote Similarity 0.6273 NPC328270
Remote Similarity 0.6268 NPC314278
Remote Similarity 0.625 NPC68650
Remote Similarity 0.625 NPC179224
Remote Similarity 0.6243 NPC313293
Remote Similarity 0.6242 NPC251391
Remote Similarity 0.6241 NPC22746
Remote Similarity 0.624 NPC472258
Remote Similarity 0.6235 NPC471742
Remote Similarity 0.6235 NPC21429
Remote Similarity 0.6235 NPC471130
Remote Similarity 0.6233 NPC130655
Remote Similarity 0.6231 NPC45033
Remote Similarity 0.6226 NPC76982
Remote Similarity 0.6226 NPC113946
Remote Similarity 0.6216 NPC325599
Remote Similarity 0.6211 NPC253667
Remote Similarity 0.6211 NPC88970
Remote Similarity 0.6211 NPC176983
Remote Similarity 0.6211 NPC286871
Remote Similarity 0.6211 NPC35510
Remote Similarity 0.6207 NPC316746
Remote Similarity 0.6195 NPC271642
Remote Similarity 0.6194 NPC109787
Remote Similarity 0.6194 NPC242000
Remote Similarity 0.6194 NPC237649
Remote Similarity 0.6194 NPC300596
Remote Similarity 0.619 NPC11126

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  235.17
ALogP  -0.6429
MLogP  2.45
XLogP  1.492
HDA  4
HBD  2
Rotatable Bonds  10
TPSA  58.36
RO5 Violation  0