Drug Information

Drug ID:  NPD4761
Drug Name:  Lisinopril Hydrate
Molecular Formula:  C21H31N3O5.H2O
Canonical SMILES:  NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@H](C(=O)O)CCc1ccccc1.O
Standard InCHI:  InChI=1S/C21H31N3O5.H2O/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15;/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29);1H2/t16-,17-,18-;/m0./s1
Standard InCHIKey:  BAVDEDVBIHTHJQ-UVJOBNTFSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD4761

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 0.819 NPC67043
Intermediate Similarity 0.8162 NPC315266
Intermediate Similarity 0.808 NPC200964
Intermediate Similarity 0.8049 NPC285926
Intermediate Similarity 0.8049 NPC315276
Intermediate Similarity 0.8049 NPC14672
Intermediate Similarity 0.8016 NPC71684
Intermediate Similarity 0.7926 NPC132636
Intermediate Similarity 0.7895 NPC324569
Intermediate Similarity 0.7891 NPC6975
Intermediate Similarity 0.7863 NPC473322
Intermediate Similarity 0.7829 NPC222466
Intermediate Similarity 0.7826 NPC52748
Intermediate Similarity 0.7801 NPC2501
Intermediate Similarity 0.7786 NPC311658
Intermediate Similarity 0.7778 NPC469903
Intermediate Similarity 0.7769 NPC101719
Intermediate Similarity 0.7744 NPC255447
Intermediate Similarity 0.7744 NPC130309
Intermediate Similarity 0.7739 NPC10781
Intermediate Similarity 0.7739 NPC293628
Intermediate Similarity 0.7739 NPC122493
Intermediate Similarity 0.7734 NPC202521
Intermediate Similarity 0.7727 NPC111428
Intermediate Similarity 0.7687 NPC469902
Intermediate Similarity 0.7681 NPC269398
Intermediate Similarity 0.7681 NPC263493
Intermediate Similarity 0.7672 NPC322598
Intermediate Similarity 0.7664 NPC178662
Intermediate Similarity 0.7664 NPC476133
Intermediate Similarity 0.7664 NPC470884
Intermediate Similarity 0.7664 NPC98424
Intermediate Similarity 0.7664 NPC92784
Intermediate Similarity 0.7656 NPC476990
Intermediate Similarity 0.7643 NPC5620
Intermediate Similarity 0.7643 NPC209509
Intermediate Similarity 0.7639 NPC122590
Intermediate Similarity 0.7626 NPC161069
Intermediate Similarity 0.7615 NPC175726
Intermediate Similarity 0.7615 NPC474082
Intermediate Similarity 0.7606 NPC471820
Intermediate Similarity 0.7606 NPC471821
Intermediate Similarity 0.76 NPC33742
Intermediate Similarity 0.7591 NPC471264
Intermediate Similarity 0.7591 NPC471265
Intermediate Similarity 0.7581 NPC474584
Intermediate Similarity 0.7574 NPC248283
Intermediate Similarity 0.7571 NPC315283
Intermediate Similarity 0.7571 NPC314388
Intermediate Similarity 0.7571 NPC476978
Intermediate Similarity 0.7563 NPC164859
Intermediate Similarity 0.7561 NPC319579
Intermediate Similarity 0.7559 NPC470545
Intermediate Similarity 0.7551 NPC324850
Intermediate Similarity 0.7538 NPC252878
Intermediate Similarity 0.7537 NPC200589
Intermediate Similarity 0.752 NPC276949
Intermediate Similarity 0.752 NPC35850
Intermediate Similarity 0.7518 NPC313867
Intermediate Similarity 0.7518 NPC316008
Intermediate Similarity 0.75 NPC468984
Intermediate Similarity 0.75 NPC329011
Intermediate Similarity 0.75 NPC77905
Intermediate Similarity 0.75 NPC7817
Intermediate Similarity 0.75 NPC475168
Intermediate Similarity 0.75 NPC470546
Intermediate Similarity 0.7481 NPC46427
Intermediate Similarity 0.748 NPC470544
Intermediate Similarity 0.7465 NPC262077
Intermediate Similarity 0.7465 NPC314358
Intermediate Similarity 0.745 NPC469901
Intermediate Similarity 0.7445 NPC141050
Intermediate Similarity 0.7444 NPC477937
Intermediate Similarity 0.7432 NPC297145
Intermediate Similarity 0.7432 NPC197743
Intermediate Similarity 0.7431 NPC129666
Intermediate Similarity 0.7424 NPC22746
Intermediate Similarity 0.7413 NPC329761
Intermediate Similarity 0.7413 NPC138775
Intermediate Similarity 0.7413 NPC145113
Intermediate Similarity 0.7413 NPC225648
Intermediate Similarity 0.7407 NPC300315
Intermediate Similarity 0.7391 NPC314835
Intermediate Similarity 0.7386 NPC469904
Intermediate Similarity 0.7377 NPC327481
Intermediate Similarity 0.7361 NPC240848
Intermediate Similarity 0.7357 NPC239762
Intermediate Similarity 0.7357 NPC163392
Intermediate Similarity 0.7347 NPC473002
Intermediate Similarity 0.7347 NPC470902
Intermediate Similarity 0.7344 NPC239357
Intermediate Similarity 0.7333 NPC473003
Intermediate Similarity 0.7295 NPC473418
Intermediate Similarity 0.7279 NPC473341
Intermediate Similarity 0.7273 NPC322878
Intermediate Similarity 0.7266 NPC197470
Intermediate Similarity 0.7246 NPC287401
Intermediate Similarity 0.7211 NPC162104
Intermediate Similarity 0.7194 NPC474473
Intermediate Similarity 0.719 NPC63931
Intermediate Similarity 0.7185 NPC136453
Intermediate Similarity 0.7181 NPC473580
Intermediate Similarity 0.7167 NPC12730
Intermediate Similarity 0.7163 NPC313694
Intermediate Similarity 0.7163 NPC89489
Intermediate Similarity 0.7163 NPC242159
Intermediate Similarity 0.7161 NPC473000
Intermediate Similarity 0.7154 NPC476198
Intermediate Similarity 0.7152 NPC469900
Intermediate Similarity 0.7152 NPC1390
Intermediate Similarity 0.7152 NPC62104
Intermediate Similarity 0.7152 NPC469898
Intermediate Similarity 0.7133 NPC139326
Intermediate Similarity 0.7133 NPC57976
Intermediate Similarity 0.7132 NPC105114
Intermediate Similarity 0.7132 NPC239990
Intermediate Similarity 0.7132 NPC89923
Intermediate Similarity 0.7132 NPC152850
Intermediate Similarity 0.7132 NPC71933
Intermediate Similarity 0.7115 NPC276506
Intermediate Similarity 0.7111 NPC474847
Intermediate Similarity 0.7107 NPC473001
Intermediate Similarity 0.7105 NPC475544
Intermediate Similarity 0.7105 NPC471527
Intermediate Similarity 0.7099 NPC314992
Intermediate Similarity 0.7092 NPC68865
Intermediate Similarity 0.7092 NPC127741
Intermediate Similarity 0.709 NPC35996
Intermediate Similarity 0.7055 NPC16188
Intermediate Similarity 0.705 NPC246079
Intermediate Similarity 0.7034 NPC471680
Intermediate Similarity 0.7021 NPC476102
Intermediate Similarity 0.7021 NPC293377
Intermediate Similarity 0.7021 NPC260045
Intermediate Similarity 0.7021 NPC273907
Intermediate Similarity 0.7021 NPC9687
Intermediate Similarity 0.7021 NPC475598
Intermediate Similarity 0.7021 NPC49577
Intermediate Similarity 0.7021 NPC475318
Intermediate Similarity 0.7021 NPC474855
Intermediate Similarity 0.7021 NPC118099
Intermediate Similarity 0.7021 NPC151706
Intermediate Similarity 0.7021 NPC474811
Intermediate Similarity 0.7021 NPC90194
Intermediate Similarity 0.7021 NPC76785
Intermediate Similarity 0.7021 NPC79465
Intermediate Similarity 0.7021 NPC474787
Intermediate Similarity 0.7014 NPC197682
Intermediate Similarity 0.7007 NPC319766
Intermediate Similarity 0.7006 NPC198254
Intermediate Similarity 0.7006 NPC274198
Intermediate Similarity 0.7 NPC101139
Remote Similarity 0.6993 NPC476259
Remote Similarity 0.6993 NPC469243
Remote Similarity 0.6986 NPC314114
Remote Similarity 0.698 NPC300443
Remote Similarity 0.6978 NPC157311
Remote Similarity 0.697 NPC220698
Remote Similarity 0.6968 NPC217804
Remote Similarity 0.6968 NPC22883
Remote Similarity 0.6968 NPC5719
Remote Similarity 0.6968 NPC210377
Remote Similarity 0.6957 NPC469666
Remote Similarity 0.6957 NPC311753
Remote Similarity 0.6947 NPC2265
Remote Similarity 0.6944 NPC168113
Remote Similarity 0.6943 NPC129486
Remote Similarity 0.6937 NPC196243
Remote Similarity 0.6934 NPC322433
Remote Similarity 0.6929 NPC8761
Remote Similarity 0.6929 NPC44805
Remote Similarity 0.6929 NPC257390
Remote Similarity 0.6923 NPC304074
Remote Similarity 0.6923 NPC15068
Remote Similarity 0.6923 NPC290755
Remote Similarity 0.6923 NPC471771
Remote Similarity 0.6906 NPC69496
Remote Similarity 0.6897 NPC176226
Remote Similarity 0.6889 NPC291027
Remote Similarity 0.6889 NPC317474
Remote Similarity 0.6889 NPC213126
Remote Similarity 0.6889 NPC169485
Remote Similarity 0.6889 NPC84281
Remote Similarity 0.6879 NPC63040
Remote Similarity 0.6875 NPC307357
Remote Similarity 0.6875 NPC268841
Remote Similarity 0.6875 NPC46098
Remote Similarity 0.6867 NPC233702
Remote Similarity 0.6866 NPC302169
Remote Similarity 0.6866 NPC27833
Remote Similarity 0.6859 NPC223207
Remote Similarity 0.6853 NPC109580
Remote Similarity 0.6835 NPC280022
Remote Similarity 0.6828 NPC469427
Remote Similarity 0.6828 NPC469426
Remote Similarity 0.6824 NPC135121
Remote Similarity 0.6821 NPC5194
Remote Similarity 0.6821 NPC261934
Remote Similarity 0.6821 NPC262166
Remote Similarity 0.6821 NPC202198

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  405.23
ALogP  -4.3984
MLogP  2.89
XLogP  1.106
HDA  8
HBD  4
Rotatable Bonds  16
TPSA  132.96
RO5 Violation  1