Drug Information

Drug ID:  NPD3713
Drug Name:  Perindopril Erbumine
Molecular Formula:  C19H32N2O5.C4H11N
Canonical SMILES:  CC(N)(C)C.CCC[C@@H](C(=O)OCC)N[C@H](C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O)C
Standard InCHI:  InChI=1S/C19H32N2O5.C4H11N/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24;1-4(2,3)5/h12-16,20H,4-11H2,1-3H3,(H,23,24);5H2,1-3H3/t12-,13-,14-,15-,16-;/m0./s1
Standard InCHIKey:  IYNMDWMQHSMDDE-MHXJNQAMSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3713

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 0.7917 NPC322966
Intermediate Similarity 0.7576 NPC476019
Intermediate Similarity 0.7556 NPC327272
Intermediate Similarity 0.7238 NPC220234
Intermediate Similarity 0.7064 NPC323720
Intermediate Similarity 0.7 NPC322274
Remote Similarity 0.699 NPC471098
Remote Similarity 0.699 NPC62263
Remote Similarity 0.699 NPC173763
Remote Similarity 0.6893 NPC474576
Remote Similarity 0.6882 NPC320221
Remote Similarity 0.6881 NPC5864
Remote Similarity 0.6881 NPC124554
Remote Similarity 0.6881 NPC301148
Remote Similarity 0.6847 NPC241394
Remote Similarity 0.6796 NPC475801
Remote Similarity 0.6796 NPC474593
Remote Similarity 0.6757 NPC124549
Remote Similarity 0.6757 NPC128303
Remote Similarity 0.6729 NPC134504
Remote Similarity 0.6729 NPC47076
Remote Similarity 0.6667 NPC198344
Remote Similarity 0.6667 NPC287693
Remote Similarity 0.6634 NPC277918
Remote Similarity 0.663 NPC15864
Remote Similarity 0.6598 NPC477145
Remote Similarity 0.6598 NPC473741
Remote Similarity 0.6585 NPC477518
Remote Similarity 0.6581 NPC309731
Remote Similarity 0.6579 NPC67009
Remote Similarity 0.6579 NPC171734
Remote Similarity 0.6577 NPC233274
Remote Similarity 0.6577 NPC287638
Remote Similarity 0.6577 NPC194750
Remote Similarity 0.6555 NPC28542
Remote Similarity 0.6486 NPC188785
Remote Similarity 0.6471 NPC271115
Remote Similarity 0.6422 NPC471843
Remote Similarity 0.6415 NPC477538
Remote Similarity 0.6404 NPC471844
Remote Similarity 0.64 NPC309525
Remote Similarity 0.6373 NPC472351
Remote Similarity 0.6354 NPC208657
Remote Similarity 0.6337 NPC84128
Remote Similarity 0.6337 NPC53858
Remote Similarity 0.633 NPC117829
Remote Similarity 0.6311 NPC477237
Remote Similarity 0.6306 NPC475440
Remote Similarity 0.63 NPC216090
Remote Similarity 0.6283 NPC475149
Remote Similarity 0.6283 NPC471097
Remote Similarity 0.625 NPC90476
Remote Similarity 0.625 NPC69374
Remote Similarity 0.6238 NPC23984
Remote Similarity 0.621 NPC266910
Remote Similarity 0.621 NPC477238
Remote Similarity 0.62 NPC312315
Remote Similarity 0.619 NPC211848
Remote Similarity 0.6186 NPC178919
Remote Similarity 0.6186 NPC263281
Remote Similarity 0.6186 NPC161774
Remote Similarity 0.6186 NPC266888
Remote Similarity 0.6186 NPC209156
Remote Similarity 0.6186 NPC256312
Remote Similarity 0.6154 NPC120335
Remote Similarity 0.6139 NPC476243
Remote Similarity 0.6139 NPC476156
Remote Similarity 0.6139 NPC476137
Remote Similarity 0.6139 NPC476117
Remote Similarity 0.6134 NPC476875
Remote Similarity 0.6129 NPC139867
Remote Similarity 0.6126 NPC473597
Remote Similarity 0.6124 NPC25327
Remote Similarity 0.6121 NPC475637
Remote Similarity 0.6106 NPC13175
Remote Similarity 0.6106 NPC475791
Remote Similarity 0.6087 NPC265094
Remote Similarity 0.6078 NPC476302
Remote Similarity 0.6078 NPC470783
Remote Similarity 0.6075 NPC275715
Remote Similarity 0.6071 NPC472736
Remote Similarity 0.6063 NPC470653
Remote Similarity 0.6063 NPC470654
Remote Similarity 0.6063 NPC470650
Remote Similarity 0.6048 NPC469899
Remote Similarity 0.604 NPC31756
Remote Similarity 0.6033 NPC63191
Remote Similarity 0.6033 NPC471202
Remote Similarity 0.6031 NPC315011
Remote Similarity 0.6018 NPC475758
Remote Similarity 0.6017 NPC15413
Remote Similarity 0.6 NPC8325
Remote Similarity 0.5981 NPC304454
Remote Similarity 0.5979 NPC306973
Remote Similarity 0.5979 NPC214532
Remote Similarity 0.5979 NPC196007
Remote Similarity 0.5979 NPC76297
Remote Similarity 0.597 NPC477400
Remote Similarity 0.5963 NPC17143
Remote Similarity 0.5963 NPC47230
Remote Similarity 0.5962 NPC235078
Remote Similarity 0.5952 NPC160688
Remote Similarity 0.5946 NPC280066
Remote Similarity 0.5935 NPC241294
Remote Similarity 0.5935 NPC202722
Remote Similarity 0.5935 NPC39041
Remote Similarity 0.5935 NPC471845
Remote Similarity 0.5935 NPC471846
Remote Similarity 0.5932 NPC271562
Remote Similarity 0.5923 NPC220396
Remote Similarity 0.5893 NPC40663
Remote Similarity 0.5889 NPC302003
Remote Similarity 0.5889 NPC245346
Remote Similarity 0.5889 NPC11433
Remote Similarity 0.5882 NPC207820
Remote Similarity 0.5873 NPC470652
Remote Similarity 0.5856 NPC301010
Remote Similarity 0.5833 NPC313657
Remote Similarity 0.5833 NPC324506
Remote Similarity 0.5833 NPC10716
Remote Similarity 0.5833 NPC168017
Remote Similarity 0.582 NPC76660
Remote Similarity 0.582 NPC276995
Remote Similarity 0.5812 NPC476877
Remote Similarity 0.5806 NPC296043
Remote Similarity 0.5794 NPC477539
Remote Similarity 0.5794 NPC475340
Remote Similarity 0.5778 NPC278209
Remote Similarity 0.5773 NPC29598
Remote Similarity 0.5773 NPC212866
Remote Similarity 0.5769 NPC475542
Remote Similarity 0.5764 NPC2501
Remote Similarity 0.576 NPC329216
Remote Similarity 0.5755 NPC477401
Remote Similarity 0.5755 NPC477399
Remote Similarity 0.5755 NPC124359
Remote Similarity 0.5748 NPC11379
Remote Similarity 0.5745 NPC52748
Remote Similarity 0.5743 NPC477002
Remote Similarity 0.5729 NPC135539
Remote Similarity 0.5729 NPC196359
Remote Similarity 0.5729 NPC221764
Remote Similarity 0.5729 NPC78312
Remote Similarity 0.5727 NPC178632
Remote Similarity 0.5714 NPC476876
Remote Similarity 0.5714 NPC263493
Remote Similarity 0.5714 NPC269398
Remote Similarity 0.5704 NPC209509
Remote Similarity 0.5704 NPC315266
Remote Similarity 0.5704 NPC5620
Remote Similarity 0.5703 NPC315188
Remote Similarity 0.57 NPC43219
Remote Similarity 0.5694 NPC471820
Remote Similarity 0.5694 NPC471821
Remote Similarity 0.5691 NPC469466
Remote Similarity 0.5688 NPC52533
Remote Similarity 0.5686 NPC59867
Remote Similarity 0.5683 NPC470884
Remote Similarity 0.5683 NPC92784
Remote Similarity 0.5683 NPC476133
Remote Similarity 0.5683 NPC98424
Remote Similarity 0.5683 NPC178662
Remote Similarity 0.568 NPC288109
Remote Similarity 0.5674 NPC956
Remote Similarity 0.5674 NPC161069
Remote Similarity 0.5652 NPC276928
Remote Similarity 0.5652 NPC64250
Remote Similarity 0.5652 NPC268927
Remote Similarity 0.5648 NPC469363
Remote Similarity 0.5646 NPC122590
Remote Similarity 0.5644 NPC86064
Remote Similarity 0.5638 NPC316244
Remote Similarity 0.5635 NPC209734
Remote Similarity 0.5634 NPC476978
Remote Similarity 0.5631 NPC233108
Remote Similarity 0.5625 NPC470593
Remote Similarity 0.5625 NPC470594
Remote Similarity 0.5615 NPC473477
Remote Similarity 0.5612 NPC471264
Remote Similarity 0.5612 NPC473955
Remote Similarity 0.5612 NPC471265
Remote Similarity 0.5607 NPC320936
Remote Similarity 0.56 NPC197743
Remote Similarity 0.56 NPC297145

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  368.23
ALogP  -2.6874
MLogP  2.78
XLogP  2.578
HDA  7
HBD  2
Rotatable Bonds  14
TPSA  95.94
RO5 Violation  0