Drug Information

Drug ID:  NPD3071
Drug Name:  Enalaprilat
Molecular Formula:  C18H24N2O5.2H2O
Canonical SMILES:  OC(=O)[C@@H](N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C)CCc1ccccc1.O.O
Standard InCHI:  InChI=1S/C18H24N2O5.2H2O/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13;;/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25);2*1H2/t12-,14-,15-;;/m0../s1
Standard InCHIKey:  MZYVOFLIPYDBGD-MLZQUWKJSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD3071

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 0.8276 NPC67043
Intermediate Similarity 0.8235 NPC315266
Intermediate Similarity 0.816 NPC200964
Intermediate Similarity 0.8095 NPC71684
Intermediate Similarity 0.8 NPC132636
Intermediate Similarity 0.7984 NPC315276
Intermediate Similarity 0.7984 NPC14672
Intermediate Similarity 0.7984 NPC285926
Intermediate Similarity 0.7969 NPC6975
Intermediate Similarity 0.7939 NPC473322
Intermediate Similarity 0.7907 NPC222466
Intermediate Similarity 0.7899 NPC52748
Intermediate Similarity 0.7872 NPC2501
Intermediate Similarity 0.7857 NPC311658
Intermediate Similarity 0.7847 NPC469903
Intermediate Similarity 0.7846 NPC101719
Intermediate Similarity 0.7826 NPC324569
Intermediate Similarity 0.782 NPC130309
Intermediate Similarity 0.782 NPC255447
Intermediate Similarity 0.7812 NPC202521
Intermediate Similarity 0.7803 NPC111428
Intermediate Similarity 0.7759 NPC322598
Intermediate Similarity 0.7755 NPC469902
Intermediate Similarity 0.7754 NPC269398
Intermediate Similarity 0.7754 NPC263493
Intermediate Similarity 0.7737 NPC470884
Intermediate Similarity 0.7737 NPC178662
Intermediate Similarity 0.7737 NPC476133
Intermediate Similarity 0.7737 NPC98424
Intermediate Similarity 0.7737 NPC92784
Intermediate Similarity 0.7734 NPC476990
Intermediate Similarity 0.7714 NPC209509
Intermediate Similarity 0.7714 NPC5620
Intermediate Similarity 0.7708 NPC122590
Intermediate Similarity 0.7698 NPC161069
Intermediate Similarity 0.768 NPC33742
Intermediate Similarity 0.7676 NPC471820
Intermediate Similarity 0.7676 NPC471821
Intermediate Similarity 0.7672 NPC10781
Intermediate Similarity 0.7672 NPC293628
Intermediate Similarity 0.7672 NPC122493
Intermediate Similarity 0.7664 NPC471265
Intermediate Similarity 0.7664 NPC471264
Intermediate Similarity 0.7661 NPC474584
Intermediate Similarity 0.7647 NPC248283
Intermediate Similarity 0.7643 NPC476978
Intermediate Similarity 0.7643 NPC314388
Intermediate Similarity 0.7643 NPC315283
Intermediate Similarity 0.7638 NPC470545
Intermediate Similarity 0.7615 NPC252878
Intermediate Similarity 0.7612 NPC200589
Intermediate Similarity 0.76 NPC35850
Intermediate Similarity 0.76 NPC276949
Intermediate Similarity 0.7589 NPC313867
Intermediate Similarity 0.7589 NPC316008
Intermediate Similarity 0.7578 NPC470546
Intermediate Similarity 0.7571 NPC77905
Intermediate Similarity 0.7571 NPC468984
Intermediate Similarity 0.7569 NPC475168
Intermediate Similarity 0.7569 NPC7817
Intermediate Similarity 0.7559 NPC470544
Intermediate Similarity 0.7557 NPC175726
Intermediate Similarity 0.7557 NPC474082
Intermediate Similarity 0.7557 NPC46427
Intermediate Similarity 0.7535 NPC262077
Intermediate Similarity 0.7535 NPC314358
Intermediate Similarity 0.7519 NPC477937
Intermediate Similarity 0.7518 NPC141050
Intermediate Similarity 0.7517 NPC469901
Intermediate Similarity 0.75 NPC319579
Intermediate Similarity 0.75 NPC164859
Intermediate Similarity 0.75 NPC129666
Intermediate Similarity 0.75 NPC197743
Intermediate Similarity 0.75 NPC22746
Intermediate Similarity 0.75 NPC297145
Intermediate Similarity 0.75 NPC324850
Intermediate Similarity 0.7483 NPC329761
Intermediate Similarity 0.7483 NPC138775
Intermediate Similarity 0.7483 NPC145113
Intermediate Similarity 0.7483 NPC225648
Intermediate Similarity 0.7481 NPC300315
Intermediate Similarity 0.7464 NPC314835
Intermediate Similarity 0.7459 NPC327481
Intermediate Similarity 0.7451 NPC469904
Intermediate Similarity 0.744 NPC329011
Intermediate Similarity 0.7431 NPC240848
Intermediate Similarity 0.7429 NPC163392
Intermediate Similarity 0.7429 NPC239762
Intermediate Similarity 0.7422 NPC239357
Intermediate Similarity 0.7415 NPC473002
Intermediate Similarity 0.7415 NPC470902
Intermediate Similarity 0.74 NPC473003
Intermediate Similarity 0.7377 NPC473418
Intermediate Similarity 0.7347 NPC473341
Intermediate Similarity 0.7344 NPC197470
Intermediate Similarity 0.7343 NPC322878
Intermediate Similarity 0.7319 NPC287401
Intermediate Similarity 0.7279 NPC162104
Intermediate Similarity 0.7259 NPC136453
Intermediate Similarity 0.7255 NPC63931
Intermediate Similarity 0.725 NPC12730
Intermediate Similarity 0.7248 NPC473580
Intermediate Similarity 0.7236 NPC476198
Intermediate Similarity 0.7234 NPC89489
Intermediate Similarity 0.7226 NPC473000
Intermediate Similarity 0.7219 NPC469898
Intermediate Similarity 0.7219 NPC62104
Intermediate Similarity 0.7219 NPC1390
Intermediate Similarity 0.7215 NPC469900
Intermediate Similarity 0.7206 NPC239990
Intermediate Similarity 0.7206 NPC71933
Intermediate Similarity 0.7206 NPC89923
Intermediate Similarity 0.7206 NPC105114
Intermediate Similarity 0.7206 NPC152850
Intermediate Similarity 0.7203 NPC139326
Intermediate Similarity 0.7185 NPC474847
Intermediate Similarity 0.7179 NPC276506
Intermediate Similarity 0.7176 NPC314992
Intermediate Similarity 0.7171 NPC475544
Intermediate Similarity 0.7171 NPC471527
Intermediate Similarity 0.717 NPC473001
Intermediate Similarity 0.7164 NPC35996
Intermediate Similarity 0.7163 NPC68865
Intermediate Similarity 0.7163 NPC127741
Intermediate Similarity 0.7143 NPC474473
Intermediate Similarity 0.7123 NPC16188
Intermediate Similarity 0.7122 NPC246079
Intermediate Similarity 0.7113 NPC313694
Intermediate Similarity 0.7113 NPC242159
Intermediate Similarity 0.7103 NPC471680
Intermediate Similarity 0.7092 NPC474855
Intermediate Similarity 0.7092 NPC476102
Intermediate Similarity 0.7092 NPC475598
Intermediate Similarity 0.7092 NPC474787
Intermediate Similarity 0.7092 NPC273907
Intermediate Similarity 0.7092 NPC475318
Intermediate Similarity 0.7092 NPC474811
Intermediate Similarity 0.7092 NPC151706
Intermediate Similarity 0.7092 NPC293377
Intermediate Similarity 0.7092 NPC9687
Intermediate Similarity 0.7092 NPC260045
Intermediate Similarity 0.7092 NPC79465
Intermediate Similarity 0.7092 NPC118099
Intermediate Similarity 0.7092 NPC76785
Intermediate Similarity 0.7092 NPC49577
Intermediate Similarity 0.7092 NPC90194
Intermediate Similarity 0.7083 NPC197682
Intermediate Similarity 0.7083 NPC57976
Intermediate Similarity 0.708 NPC319766
Intermediate Similarity 0.707 NPC274198
Intermediate Similarity 0.707 NPC198254
Intermediate Similarity 0.7063 NPC476259
Intermediate Similarity 0.7059 NPC469243
Intermediate Similarity 0.7055 NPC314114
Intermediate Similarity 0.705 NPC157311
Intermediate Similarity 0.7047 NPC300443
Intermediate Similarity 0.7045 NPC220698
Intermediate Similarity 0.7032 NPC5719
Intermediate Similarity 0.7032 NPC217804
Intermediate Similarity 0.7032 NPC22883
Intermediate Similarity 0.7032 NPC210377
Intermediate Similarity 0.7029 NPC469666
Intermediate Similarity 0.7023 NPC2265
Intermediate Similarity 0.7014 NPC168113
Intermediate Similarity 0.7006 NPC129486
Intermediate Similarity 0.7 NPC196243
Intermediate Similarity 0.7 NPC257390
Intermediate Similarity 0.7 NPC8761
Intermediate Similarity 0.7 NPC44805
Remote Similarity 0.6987 NPC304074
Remote Similarity 0.6987 NPC15068
Remote Similarity 0.6987 NPC290755
Remote Similarity 0.6987 NPC471771
Remote Similarity 0.6978 NPC69496
Remote Similarity 0.6966 NPC176226
Remote Similarity 0.6963 NPC84281
Remote Similarity 0.6963 NPC169485
Remote Similarity 0.6963 NPC317474
Remote Similarity 0.6963 NPC291027
Remote Similarity 0.6963 NPC213126
Remote Similarity 0.6947 NPC101139
Remote Similarity 0.6944 NPC268841
Remote Similarity 0.6944 NPC307357
Remote Similarity 0.6944 NPC46098
Remote Similarity 0.6943 NPC63040
Remote Similarity 0.694 NPC27833
Remote Similarity 0.694 NPC302169
Remote Similarity 0.6933 NPC233702
Remote Similarity 0.6923 NPC223207
Remote Similarity 0.6923 NPC109580
Remote Similarity 0.6906 NPC311753
Remote Similarity 0.6899 NPC280022
Remote Similarity 0.6897 NPC469426
Remote Similarity 0.6897 NPC469427
Remote Similarity 0.6892 NPC135121
Remote Similarity 0.6887 NPC262166
Remote Similarity 0.6887 NPC56685
Remote Similarity 0.6887 NPC261934
Remote Similarity 0.6887 NPC202198
Remote Similarity 0.6887 NPC5194

Drug Structure

External Identifiers

TTD  
DrugBank   DB09477
ChEMBL   CHEMBL577
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D03769
PubChem CID  
ChEBI   4786
CAS Number  76420-72-9

Drug Properties

Molecular Weight  348.17
ALogP  -2.7448
MLogP  2.67
XLogP  3.397
HDA  7
HBD  3
Rotatable Bonds  12
TPSA  106.94
RO5 Violation  0