Drug Information

Drug ID:  NPD1417
Drug Name:  Lidocaine Hydrochloride Hydrate
Molecular Formula:  C14H22N2O.ClH.H2O
Canonical SMILES:  CCN(CC(=Nc1c(C)cccc1C)O)CC.O.Cl
Standard InCHI:  InChI=1S/C14H22N2O.ClH.H2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;;/h7-9H,5-6,10H2,1-4H3,(H,15,17);1H;1H2
Standard InCHIKey:  YECIFGHRMFEPJK-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1417

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 0.8542 NPC78154
Intermediate Similarity 0.7604 NPC307456
Intermediate Similarity 0.75 NPC473031
Intermediate Similarity 0.7449 NPC15839
Intermediate Similarity 0.7426 NPC111233
Intermediate Similarity 0.7417 NPC328683
Intermediate Similarity 0.7417 NPC283130
Intermediate Similarity 0.7353 NPC470877
Intermediate Similarity 0.7339 NPC178681
Intermediate Similarity 0.7321 NPC164802
Intermediate Similarity 0.7311 NPC316582
Intermediate Similarity 0.7282 NPC141139
Intermediate Similarity 0.7282 NPC159178
Intermediate Similarity 0.7282 NPC121872
Intermediate Similarity 0.7282 NPC471307
Intermediate Similarity 0.7282 NPC78041
Intermediate Similarity 0.7282 NPC74936
Intermediate Similarity 0.7282 NPC209764
Intermediate Similarity 0.7167 NPC317564
Intermediate Similarity 0.7094 NPC205652
Intermediate Similarity 0.7094 NPC470550
Intermediate Similarity 0.7091 NPC291610
Intermediate Similarity 0.7083 NPC271642
Intermediate Similarity 0.7075 NPC476483
Intermediate Similarity 0.7075 NPC471309
Intermediate Similarity 0.7059 NPC192209
Intermediate Similarity 0.704 NPC476950
Intermediate Similarity 0.7009 NPC187036
Intermediate Similarity 0.7009 NPC303045
Intermediate Similarity 0.7009 NPC296163
Intermediate Similarity 0.7009 NPC161972
Intermediate Similarity 0.7 NPC264580
Intermediate Similarity 0.7 NPC228515
Remote Similarity 0.699 NPC262295
Remote Similarity 0.699 NPC471638
Remote Similarity 0.6979 NPC98976
Remote Similarity 0.6944 NPC25565
Remote Similarity 0.6923 NPC12429
Remote Similarity 0.6917 NPC313449
Remote Similarity 0.6916 NPC469330
Remote Similarity 0.6905 NPC478079
Remote Similarity 0.6893 NPC203076
Remote Similarity 0.6887 NPC245259
Remote Similarity 0.6887 NPC226438
Remote Similarity 0.6881 NPC475439
Remote Similarity 0.6881 NPC473501
Remote Similarity 0.6842 NPC243162
Remote Similarity 0.6833 NPC313673
Remote Similarity 0.6832 NPC14326
Remote Similarity 0.6797 NPC226662
Remote Similarity 0.6796 NPC3210
Remote Similarity 0.6792 NPC316108
Remote Similarity 0.6792 NPC92689
Remote Similarity 0.6789 NPC471320
Remote Similarity 0.6789 NPC471319
Remote Similarity 0.6783 NPC37584
Remote Similarity 0.6762 NPC30445
Remote Similarity 0.675 NPC288232
Remote Similarity 0.6727 NPC472258
Remote Similarity 0.6727 NPC311242
Remote Similarity 0.6719 NPC150863
Remote Similarity 0.6718 NPC313352
Remote Similarity 0.6701 NPC299134
Remote Similarity 0.6697 NPC108339
Remote Similarity 0.6694 NPC147957
Remote Similarity 0.6692 NPC476689
Remote Similarity 0.6692 NPC476687
Remote Similarity 0.6692 NPC122553
Remote Similarity 0.6692 NPC476685
Remote Similarity 0.6637 NPC329375
Remote Similarity 0.6636 NPC191444
Remote Similarity 0.6602 NPC104070
Remote Similarity 0.66 NPC12857
Remote Similarity 0.6591 NPC184437
Remote Similarity 0.6583 NPC35850
Remote Similarity 0.6583 NPC276949
Remote Similarity 0.6581 NPC302790
Remote Similarity 0.6579 NPC471310
Remote Similarity 0.6579 NPC202613
Remote Similarity 0.6579 NPC471317
Remote Similarity 0.6579 NPC474430
Remote Similarity 0.6574 NPC470926
Remote Similarity 0.6569 NPC231986
Remote Similarity 0.6545 NPC58674
Remote Similarity 0.6542 NPC176858
Remote Similarity 0.6542 NPC173991
Remote Similarity 0.6538 NPC314431
Remote Similarity 0.6538 NPC472245
Remote Similarity 0.6538 NPC280807
Remote Similarity 0.6532 NPC177684
Remote Similarity 0.6532 NPC291962
Remote Similarity 0.6529 NPC33742
Remote Similarity 0.6522 NPC275467
Remote Similarity 0.6522 NPC224610
Remote Similarity 0.6522 NPC194390
Remote Similarity 0.6522 NPC113326
Remote Similarity 0.6522 NPC88267
Remote Similarity 0.6514 NPC108800
Remote Similarity 0.65 NPC325662
Remote Similarity 0.65 NPC254798
Remote Similarity 0.65 NPC98269
Remote Similarity 0.6491 NPC239854
Remote Similarity 0.6484 NPC474926
Remote Similarity 0.6484 NPC325013
Remote Similarity 0.6481 NPC172128
Remote Similarity 0.648 NPC258531
Remote Similarity 0.648 NPC161956
Remote Similarity 0.648 NPC112373
Remote Similarity 0.6466 NPC143516
Remote Similarity 0.646 NPC12730
Remote Similarity 0.6452 NPC81561
Remote Similarity 0.6452 NPC220698
Remote Similarity 0.6449 NPC262393
Remote Similarity 0.6446 NPC314141
Remote Similarity 0.6442 NPC119677
Remote Similarity 0.6439 NPC207428
Remote Similarity 0.6429 NPC244738
Remote Similarity 0.6429 NPC215519
Remote Similarity 0.6423 NPC239357
Remote Similarity 0.6423 NPC470544
Remote Similarity 0.6412 NPC9856
Remote Similarity 0.641 NPC474973
Remote Similarity 0.641 NPC474804
Remote Similarity 0.641 NPC471447
Remote Similarity 0.641 NPC327481
Remote Similarity 0.641 NPC45033
Remote Similarity 0.641 NPC130898
Remote Similarity 0.6408 NPC187951
Remote Similarity 0.6406 NPC317758
Remote Similarity 0.6404 NPC228400
Remote Similarity 0.6404 NPC214200
Remote Similarity 0.64 NPC226143
Remote Similarity 0.6397 NPC83214
Remote Similarity 0.6392 NPC219246
Remote Similarity 0.6381 NPC169016
Remote Similarity 0.6371 NPC148140
Remote Similarity 0.6371 NPC470545
Remote Similarity 0.637 NPC325599
Remote Similarity 0.637 NPC104345
Remote Similarity 0.6364 NPC66775
Remote Similarity 0.6364 NPC473661
Remote Similarity 0.6357 NPC116519
Remote Similarity 0.6356 NPC172170
Remote Similarity 0.6355 NPC17497
Remote Similarity 0.6355 NPC305602
Remote Similarity 0.632 NPC470546
Remote Similarity 0.6316 NPC53044
Remote Similarity 0.6312 NPC314372
Remote Similarity 0.6312 NPC324445
Remote Similarity 0.6312 NPC472100
Remote Similarity 0.6311 NPC57051
Remote Similarity 0.6308 NPC322433
Remote Similarity 0.6304 NPC316202
Remote Similarity 0.6304 NPC104483
Remote Similarity 0.6299 NPC475915
Remote Similarity 0.6299 NPC257490
Remote Similarity 0.6296 NPC297532
Remote Similarity 0.6296 NPC300299
Remote Similarity 0.6296 NPC325441
Remote Similarity 0.6293 NPC164859
Remote Similarity 0.629 NPC285926
Remote Similarity 0.629 NPC315276
Remote Similarity 0.629 NPC14672
Remote Similarity 0.6286 NPC474088
Remote Similarity 0.6286 NPC472103
Remote Similarity 0.6286 NPC190296
Remote Similarity 0.6261 NPC469457
Remote Similarity 0.6241 NPC316746
Remote Similarity 0.624 NPC476566
Remote Similarity 0.6238 NPC139658
Remote Similarity 0.6233 NPC38736
Remote Similarity 0.6233 NPC207726
Remote Similarity 0.6231 NPC472244
Remote Similarity 0.6231 NPC122718
Remote Similarity 0.6231 NPC470343
Remote Similarity 0.6228 NPC322598
Remote Similarity 0.622 NPC200964
Remote Similarity 0.622 NPC476990
Remote Similarity 0.6214 NPC314287
Remote Similarity 0.6214 NPC478040
Remote Similarity 0.6212 NPC197680
Remote Similarity 0.6212 NPC259098
Remote Similarity 0.6212 NPC101372
Remote Similarity 0.6204 NPC287358
Remote Similarity 0.62 NPC112609
Remote Similarity 0.62 NPC122327
Remote Similarity 0.62 NPC113000
Remote Similarity 0.6197 NPC478039
Remote Similarity 0.6194 NPC40364
Remote Similarity 0.619 NPC477156
Remote Similarity 0.619 NPC84317
Remote Similarity 0.619 NPC477157
Remote Similarity 0.6186 NPC474695
Remote Similarity 0.6186 NPC476198
Remote Similarity 0.6183 NPC252794
Remote Similarity 0.6182 NPC258627
Remote Similarity 0.6182 NPC476160
Remote Similarity 0.6181 NPC124005
Remote Similarity 0.6181 NPC37548
Remote Similarity 0.6176 NPC290638

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  234.17
ALogP  1.7192
MLogP  2.67
XLogP  3.435
HDA  3
HBD  1
Rotatable Bonds  10
TPSA  35.83
RO5 Violation  0