NPASS drugs

Drug Information

Drug ID:	NPD7510
Drug Name:	Fosinopril Sodium
Molecular Formula:	C30H46NO7P.Na
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.[Na+]
Standard InCHI:	InChI=1S/C30H46NO7P.Na/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);/q;+1/p-1/t25-,26+,30+,39-;/m1./s1
Standard InCHIKey:	TVTJZMHAIQQZTL-WATAJHSMSA-M
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD7510

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.

Range	Similarity Score Range
0-0.1	111
0.1-0.2	681
0.2-0.3	2052
0.3-0.4	10116
0.4-0.5	15425
0.5-0.6	2204
0.6-0.7	269
0.7-0.8	32
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

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	0.7447	NPC239990
Intermediate Similarity	0.7447	NPC152850
Intermediate Similarity	0.7447	NPC105114
Intermediate Similarity	0.7447	NPC71933
Intermediate Similarity	0.7447	NPC89923
Intermediate Similarity	0.7432	NPC161069
Intermediate Similarity	0.7376	NPC136453
Intermediate Similarity	0.7333	NPC209509
Intermediate Similarity	0.7292	NPC157311
Intermediate Similarity	0.7248	NPC263493
Intermediate Similarity	0.7248	NPC269398
Intermediate Similarity	0.7241	NPC8761
Intermediate Similarity	0.7241	NPC44805
Intermediate Similarity	0.7237	NPC138775
Intermediate Similarity	0.7219	NPC5620
Intermediate Similarity	0.7171	NPC262077
Intermediate Similarity	0.7152	NPC476978
Intermediate Similarity	0.7115	NPC122590
Intermediate Similarity	0.7114	NPC470884
Intermediate Similarity	0.7114	NPC476133
Intermediate Similarity	0.7114	NPC98424
Intermediate Similarity	0.7114	NPC92784
Intermediate Similarity	0.7114	NPC178662
Intermediate Similarity	0.7047	NPC471264
Intermediate Similarity	0.7047	NPC471265
Intermediate Similarity	0.7042	NPC6975
Intermediate Similarity	0.7034	NPC473322
Intermediate Similarity	0.7032	NPC2501
Intermediate Similarity	0.7032	NPC129666
Intermediate Similarity	0.7031	NPC322598
Intermediate Similarity	0.7013	NPC225648
Intermediate Similarity	0.7013	NPC329761
Remote Similarity	0.6993	NPC316008
Remote Similarity	0.6993	NPC313867
Remote Similarity	0.6986	NPC69496
Remote Similarity	0.698	NPC118099
Remote Similarity	0.698	NPC79465
Remote Similarity	0.698	NPC474787
Remote Similarity	0.698	NPC476102
Remote Similarity	0.698	NPC475318
Remote Similarity	0.698	NPC76785
Remote Similarity	0.698	NPC151706
Remote Similarity	0.698	NPC475598
Remote Similarity	0.698	NPC474811
Remote Similarity	0.698	NPC49577
Remote Similarity	0.698	NPC474855
Remote Similarity	0.698	NPC9687
Remote Similarity	0.698	NPC293377
Remote Similarity	0.698	NPC273907
Remote Similarity	0.698	NPC90194
Remote Similarity	0.698	NPC260045
Remote Similarity	0.6972	NPC169485
Remote Similarity	0.6972	NPC317474
Remote Similarity	0.6972	NPC291027
Remote Similarity	0.6972	NPC213126
Remote Similarity	0.6972	NPC84281
Remote Similarity	0.6968	NPC240848
Remote Similarity	0.6954	NPC163392
Remote Similarity	0.6954	NPC239762
Remote Similarity	0.695	NPC200964
Remote Similarity	0.6948	NPC314358
Remote Similarity	0.6939	NPC255447
Remote Similarity	0.6939	NPC130309
Remote Similarity	0.6928	NPC314388
Remote Similarity	0.6928	NPC315283
Remote Similarity	0.6928	NPC52748
Remote Similarity	0.6903	NPC145113
Remote Similarity	0.6901	NPC202521
Remote Similarity	0.6883	NPC315266
Remote Similarity	0.6859	NPC471820
Remote Similarity	0.6859	NPC471821
Remote Similarity	0.6846	NPC245836
Remote Similarity	0.6846	NPC233910
Remote Similarity	0.6835	NPC162104
Remote Similarity	0.6832	NPC297145
Remote Similarity	0.6832	NPC197743
Remote Similarity	0.6831	NPC476990
Remote Similarity	0.6828	NPC474847
Remote Similarity	0.6821	NPC127741
Remote Similarity	0.68	NPC248283
Remote Similarity	0.6765	NPC158854
Remote Similarity	0.6763	NPC33742
Remote Similarity	0.6757	NPC200589
Remote Similarity	0.6753	NPC139326
Remote Similarity	0.6738	NPC470545
Remote Similarity	0.6736	NPC252878
Remote Similarity	0.669	NPC46427
Remote Similarity	0.669	NPC470546
Remote Similarity	0.6667	NPC315276
Remote Similarity	0.6667	NPC281104
Remote Similarity	0.6667	NPC470544
Remote Similarity	0.6667	NPC14672
Remote Similarity	0.6667	NPC246913
Remote Similarity	0.6667	NPC285926
Remote Similarity	0.6644	NPC222466
Remote Similarity	0.6601	NPC68865
Remote Similarity	0.6599	NPC101719
Remote Similarity	0.6593	NPC473418
Remote Similarity	0.6593	NPC476198
Remote Similarity	0.6577	NPC111428
Remote Similarity	0.6575	NPC474082
Remote Similarity	0.6575	NPC175726
Remote Similarity	0.6573	NPC310467
Remote Similarity	0.6571	NPC35850
Remote Similarity	0.6571	NPC276949
Remote Similarity	0.6562	NPC475168
Remote Similarity	0.6562	NPC7817
Remote Similarity	0.6561	NPC322878
Remote Similarity	0.6558	NPC132636
Remote Similarity	0.6556	NPC246079
Remote Similarity	0.6552	NPC71684
Remote Similarity	0.655	NPC26108
Remote Similarity	0.6541	NPC105717
Remote Similarity	0.6538	NPC197682
Remote Similarity	0.6513	NPC287401
Remote Similarity	0.6503	NPC469903
Remote Similarity	0.6503	NPC169328
Remote Similarity	0.6497	NPC471516
Remote Similarity	0.6494	NPC11149
Remote Similarity	0.6491	NPC137627
Remote Similarity	0.6491	NPC285622
Remote Similarity	0.6483	NPC80150
Remote Similarity	0.6483	NPC190663
Remote Similarity	0.6481	NPC473341
Remote Similarity	0.6478	NPC135121
Remote Similarity	0.6474	NPC168113
Remote Similarity	0.6471	NPC67043
Remote Similarity	0.6467	NPC471053
Remote Similarity	0.6467	NPC471052
Remote Similarity	0.6467	NPC471051
Remote Similarity	0.6453	NPC477462
Remote Similarity	0.6446	NPC469902
Remote Similarity	0.6446	NPC471527
Remote Similarity	0.6443	NPC65310
Remote Similarity	0.6442	NPC470902
Remote Similarity	0.6433	NPC57976
Remote Similarity	0.6433	NPC176226
Remote Similarity	0.6424	NPC300315
Remote Similarity	0.641	NPC307357
Remote Similarity	0.641	NPC268841
Remote Similarity	0.641	NPC46098
Remote Similarity	0.6407	NPC73644
Remote Similarity	0.6395	NPC160493
Remote Similarity	0.6395	NPC26285
Remote Similarity	0.638	NPC286551
Remote Similarity	0.6375	NPC16188
Remote Similarity	0.6369	NPC469426
Remote Similarity	0.6369	NPC469427
Remote Similarity	0.6364	NPC473573
Remote Similarity	0.6358	NPC165726
Remote Similarity	0.6358	NPC213969
Remote Similarity	0.6352	NPC477217
Remote Similarity	0.6352	NPC201244
Remote Similarity	0.6337	NPC89831
Remote Similarity	0.6333	NPC477937
Remote Similarity	0.6331	NPC63931
Remote Similarity	0.6325	NPC324850
Remote Similarity	0.6323	NPC314835
Remote Similarity	0.6319	NPC239357
Remote Similarity	0.6312	NPC269340
Remote Similarity	0.6306	NPC476259
Remote Similarity	0.6296	NPC283783
Remote Similarity	0.6291	NPC319766
Remote Similarity	0.6287	NPC62104
Remote Similarity	0.6287	NPC1390
Remote Similarity	0.628	NPC472761
Remote Similarity	0.6279	NPC475204
Remote Similarity	0.6279	NPC475123
Remote Similarity	0.6273	NPC311658
Remote Similarity	0.6268	NPC474584
Remote Similarity	0.6267	NPC477249
Remote Similarity	0.6267	NPC477248
Remote Similarity	0.6264	NPC317725
Remote Similarity	0.6264	NPC318930
Remote Similarity	0.6264	NPC476227
Remote Similarity	0.6264	NPC326407
Remote Similarity	0.6264	NPC317362
Remote Similarity	0.625	NPC469901
Remote Similarity	0.625	NPC471680
Remote Similarity	0.6242	NPC89489
Remote Similarity	0.6242	NPC35996
Remote Similarity	0.6233	NPC237420
Remote Similarity	0.6231	NPC84288
Remote Similarity	0.6229	NPC475427
Remote Similarity	0.6226	NPC77905
Remote Similarity	0.6222	NPC12730
Remote Similarity	0.6221	NPC469904
Remote Similarity	0.622	NPC300443
Remote Similarity	0.622	NPC233702
Remote Similarity	0.6213	NPC225319
Remote Similarity	0.6212	NPC474974
Remote Similarity	0.6207	NPC306804
Remote Similarity	0.62	NPC22746
Remote Similarity	0.6194	NPC313663
Remote Similarity	0.6194	NPC324569
Remote Similarity	0.619	NPC113946
Remote Similarity	0.6188	NPC475128
Remote Similarity	0.6187	NPC329705
Remote Similarity	0.6187	NPC474111
Remote Similarity	0.6182	NPC262166

Drug Structure

NPD7510 OpenBabel08211712022D 40 41 0 0 1 0 0 0 0 0999 V2000 11.0000 -7.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -8.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -9.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -8.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -8.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3706 -0.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -9.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -7.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9639 -1.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3651 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -7.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -7.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -9.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -8.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5517 -2.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9529 -1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -7.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1340 -3.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -3.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -6.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -8.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -8.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5462 -2.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1340 -3.0316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4430 -3.9826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6340 -5.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 -8.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3940 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -7.9364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6340 -4.5704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7679 -6.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -9.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1372 -3.6225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6020 -5.2698 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5000 -8.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -7.9364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -7.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -7.0704 0.0000 P 0 0 1 0 0 0 0 0 0 0 0 0 1.4871 -2.5193 0.0000 Na 0 3 0 0 0 15 0 0 0 0 0 0 1 4 1 0 0 0 0 2 22 1 0 0 0 0 3 22 1 0 0 0 0 4 28 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 13 1 0 0 0 0 8 14 2 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 18 1 0 0 0 0 13 23 2 0 0 0 0 14 23 1 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 17 24 1 0 0 0 0 18 39 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 20 25 1 0 0 0 0 20 31 1 0 0 0 0 21 27 1 0 0 0 0 21 39 1 0 0 0 0 25 24 1 6 0 0 0 26 29 1 1 0 0 0 26 31 1 0 0 0 0 27 31 1 0 0 0 0 27 32 2 0 0 0 0 28 33 2 0 0 0 0 28 37 1 0 0 0 0 29 34 2 0 0 0 0 29 35 1 0 0 0 0 30 22 1 6 0 0 0 30 37 1 0 0 0 0 30 38 1 0 0 0 0 38 39 1 0 0 0 0 39 36 2 1 0 0 0 M CHG 2 35 -1 40 1 M END $$$$

External Identifiers

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

Drug Properties

Molecular Weight	562.29
ALogP	-2.9381
MLogP	3.77
XLogP	7.859
HDA	8
HBD	0
Rotatable Bonds	20
TPSA	122.85
RO5 Violation	2