Drug Information

Drug ID:  NPD7512
Drug Name:  Fosinopril
Molecular Formula:  C30H46NO7P
Canonical SMILES:  CCC(=O)O[C@H](C(C)C)O[P@@](=O)(CC(=O)N1C[C@@H](C[C@H]1C(=O)O)C1CCCCC1)CCCCc1ccccc1
Standard InCHI:  InChI=1S/C30H46NO7P/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35)/t25-,26+,30+,39-/m1/s1
Standard InCHIKey:  BIDNLKIUORFRQP-XYGFDPSESA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD7512

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 0.7635 NPC161069
Intermediate Similarity 0.7533 NPC209509
Intermediate Similarity 0.745 NPC263493
Intermediate Similarity 0.745 NPC269398
Intermediate Similarity 0.7434 NPC138775
Intermediate Similarity 0.7417 NPC5620
Intermediate Similarity 0.7368 NPC262077
Intermediate Similarity 0.7351 NPC476978
Intermediate Similarity 0.7315 NPC476133
Intermediate Similarity 0.7315 NPC98424
Intermediate Similarity 0.7315 NPC178662
Intermediate Similarity 0.7315 NPC92784
Intermediate Similarity 0.7315 NPC470884
Intermediate Similarity 0.7308 NPC122590
Intermediate Similarity 0.7292 NPC239990
Intermediate Similarity 0.7292 NPC89923
Intermediate Similarity 0.7292 NPC152850
Intermediate Similarity 0.7292 NPC105114
Intermediate Similarity 0.7292 NPC71933
Intermediate Similarity 0.7254 NPC6975
Intermediate Similarity 0.7248 NPC471265
Intermediate Similarity 0.7248 NPC471264
Intermediate Similarity 0.7241 NPC473322
Intermediate Similarity 0.7226 NPC2501
Intermediate Similarity 0.7226 NPC129666
Intermediate Similarity 0.7222 NPC136453
Intermediate Similarity 0.7208 NPC225648
Intermediate Similarity 0.7208 NPC329761
Intermediate Similarity 0.7192 NPC69496
Intermediate Similarity 0.719 NPC316008
Intermediate Similarity 0.719 NPC313867
Intermediate Similarity 0.7183 NPC317474
Intermediate Similarity 0.7183 NPC84281
Intermediate Similarity 0.7183 NPC213126
Intermediate Similarity 0.7183 NPC291027
Intermediate Similarity 0.7183 NPC169485
Intermediate Similarity 0.7181 NPC474787
Intermediate Similarity 0.7181 NPC9687
Intermediate Similarity 0.7181 NPC474811
Intermediate Similarity 0.7181 NPC474855
Intermediate Similarity 0.7181 NPC293377
Intermediate Similarity 0.7181 NPC118099
Intermediate Similarity 0.7181 NPC273907
Intermediate Similarity 0.7181 NPC476102
Intermediate Similarity 0.7181 NPC90194
Intermediate Similarity 0.7181 NPC76785
Intermediate Similarity 0.7181 NPC475598
Intermediate Similarity 0.7181 NPC260045
Intermediate Similarity 0.7181 NPC475318
Intermediate Similarity 0.7181 NPC49577
Intermediate Similarity 0.7181 NPC79465
Intermediate Similarity 0.7181 NPC151706
Intermediate Similarity 0.7163 NPC200964
Intermediate Similarity 0.7161 NPC240848
Intermediate Similarity 0.7152 NPC239762
Intermediate Similarity 0.7152 NPC163392
Intermediate Similarity 0.7143 NPC255447
Intermediate Similarity 0.7143 NPC130309
Intermediate Similarity 0.7143 NPC314358
Intermediate Similarity 0.7143 NPC157311
Intermediate Similarity 0.7124 NPC314388
Intermediate Similarity 0.7124 NPC52748
Intermediate Similarity 0.7124 NPC315283
Intermediate Similarity 0.7113 NPC202521
Intermediate Similarity 0.7097 NPC145113
Intermediate Similarity 0.7095 NPC8761
Intermediate Similarity 0.7095 NPC44805
Intermediate Similarity 0.7078 NPC315266
Intermediate Similarity 0.7051 NPC471820
Intermediate Similarity 0.7051 NPC471821
Intermediate Similarity 0.7047 NPC245836
Intermediate Similarity 0.7047 NPC233910
Intermediate Similarity 0.7042 NPC476990
Intermediate Similarity 0.7034 NPC474847
Intermediate Similarity 0.7025 NPC162104
Intermediate Similarity 0.702 NPC127741
Intermediate Similarity 0.7019 NPC197743
Intermediate Similarity 0.7019 NPC297145
Intermediate Similarity 0.7 NPC248283
Remote Similarity 0.6978 NPC33742
Remote Similarity 0.6959 NPC200589
Remote Similarity 0.695 NPC470545
Remote Similarity 0.6948 NPC139326
Remote Similarity 0.6944 NPC252878
Remote Similarity 0.6901 NPC470546
Remote Similarity 0.6897 NPC46427
Remote Similarity 0.6879 NPC315276
Remote Similarity 0.6879 NPC285926
Remote Similarity 0.6879 NPC14672
Remote Similarity 0.6879 NPC470544
Remote Similarity 0.687 NPC322598
Remote Similarity 0.6867 NPC246913
Remote Similarity 0.6849 NPC222466
Remote Similarity 0.6803 NPC101719
Remote Similarity 0.6797 NPC68865
Remote Similarity 0.6786 NPC35850
Remote Similarity 0.6786 NPC276949
Remote Similarity 0.6783 NPC310467
Remote Similarity 0.6781 NPC474082
Remote Similarity 0.6781 NPC175726
Remote Similarity 0.6779 NPC111428
Remote Similarity 0.6759 NPC71684
Remote Similarity 0.6755 NPC246079
Remote Similarity 0.6753 NPC132636
Remote Similarity 0.6752 NPC322878
Remote Similarity 0.675 NPC7817
Remote Similarity 0.675 NPC475168
Remote Similarity 0.6731 NPC197682
Remote Similarity 0.673 NPC105717
Remote Similarity 0.6725 NPC26108
Remote Similarity 0.6713 NPC169328
Remote Similarity 0.6711 NPC287401
Remote Similarity 0.6691 NPC67043
Remote Similarity 0.669 NPC190663
Remote Similarity 0.669 NPC80150
Remote Similarity 0.6688 NPC471516
Remote Similarity 0.6687 NPC469903
Remote Similarity 0.6667 NPC168113
Remote Similarity 0.6667 NPC137627
Remote Similarity 0.6667 NPC135121
Remote Similarity 0.6667 NPC473341
Remote Similarity 0.6647 NPC471053
Remote Similarity 0.6647 NPC471052
Remote Similarity 0.6647 NPC471051
Remote Similarity 0.6644 NPC65310
Remote Similarity 0.6628 NPC477462
Remote Similarity 0.6627 NPC471527
Remote Similarity 0.6627 NPC469902
Remote Similarity 0.6626 NPC470902
Remote Similarity 0.6624 NPC57976
Remote Similarity 0.6624 NPC176226
Remote Similarity 0.6623 NPC300315
Remote Similarity 0.6619 NPC158854
Remote Similarity 0.6603 NPC268841
Remote Similarity 0.6603 NPC46098
Remote Similarity 0.6603 NPC307357
Remote Similarity 0.6599 NPC160493
Remote Similarity 0.6587 NPC73644
Remote Similarity 0.6571 NPC11149
Remote Similarity 0.6564 NPC286551
Remote Similarity 0.6562 NPC16188
Remote Similarity 0.6561 NPC469426
Remote Similarity 0.6561 NPC469427
Remote Similarity 0.6556 NPC165726
Remote Similarity 0.6556 NPC213969
Remote Similarity 0.6541 NPC477217
Remote Similarity 0.6541 NPC201244
Remote Similarity 0.6538 NPC281104
Remote Similarity 0.6533 NPC477937
Remote Similarity 0.6528 NPC239357
Remote Similarity 0.6516 NPC314835
Remote Similarity 0.6512 NPC89831
Remote Similarity 0.6509 NPC63931
Remote Similarity 0.6506 NPC324850
Remote Similarity 0.6497 NPC476259
Remote Similarity 0.649 NPC319766
Remote Similarity 0.6481 NPC283783
Remote Similarity 0.6479 NPC474584
Remote Similarity 0.6467 NPC62104
Remote Similarity 0.6467 NPC1390
Remote Similarity 0.6467 NPC477248
Remote Similarity 0.6467 NPC477249
Remote Similarity 0.646 NPC311658
Remote Similarity 0.6453 NPC475123
Remote Similarity 0.6453 NPC475204
Remote Similarity 0.6449 NPC476198
Remote Similarity 0.6449 NPC473418
Remote Similarity 0.6444 NPC12730
Remote Similarity 0.6443 NPC35996
Remote Similarity 0.6438 NPC471680
Remote Similarity 0.6438 NPC237420
Remote Similarity 0.6437 NPC476227
Remote Similarity 0.6437 NPC317362
Remote Similarity 0.6437 NPC318930
Remote Similarity 0.6437 NPC326407
Remote Similarity 0.6437 NPC317725
Remote Similarity 0.6433 NPC89489
Remote Similarity 0.6429 NPC469901
Remote Similarity 0.6418 NPC324569
Remote Similarity 0.6415 NPC77905
Remote Similarity 0.6402 NPC300443
Remote Similarity 0.6402 NPC233702
Remote Similarity 0.64 NPC475427
Remote Similarity 0.64 NPC22746
Remote Similarity 0.6395 NPC469904
Remote Similarity 0.6387 NPC313663
Remote Similarity 0.6379 NPC306804
Remote Similarity 0.6379 NPC285622
Remote Similarity 0.6369 NPC109580
Remote Similarity 0.6364 NPC202198
Remote Similarity 0.6364 NPC262166
Remote Similarity 0.6358 NPC47667
Remote Similarity 0.6358 NPC4974
Remote Similarity 0.6351 NPC45777
Remote Similarity 0.6351 NPC478014
Remote Similarity 0.6351 NPC477061
Remote Similarity 0.6351 NPC478016
Remote Similarity 0.6351 NPC478015
Remote Similarity 0.6346 NPC141050
Remote Similarity 0.6343 NPC159767

Drug Structure

External Identifiers

TTD   DAP000582
DrugBank  
ChEMBL  
IUPHAR/BPS   6456
PharmaGKB  
KEGG Drug  
PubChem CID   9601226
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  563.30
ALogP  -2.2603
MLogP  3.77
XLogP  8.34
HDA  8
HBD  1
Rotatable Bonds  20
TPSA  120.02
RO5 Violation  2