NPASS drugs

Drug Information

Drug ID:	NPD7197
Drug Name:	Olmesartan Medoxomil; Olmesartan
Molecular Formula:	C29H30N6O6
Canonical SMILES:	CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C
Standard InCHI:	InChI=1S/C29H30N6O6/c1-5-8-23-30-25(29(3,4)38)24(27(36)39-16-22-17(2)40-28(37)41-22)35(23)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)26-31-33-34-32-26/h6-7,9-14,38H,5,8,15-16H2,1-4H3,(H,31,32,33,34)
Standard InCHIKey:	UQGKUQLKSCSZGY-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	TTD; ChEMBL; IUPHAR/BPS

Structural Similarity Between NPASS Natural Products and NPD7197

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	308
0.1-0.2	1949
0.2-0.3	9627
0.3-0.4	13056
0.4-0.5	4004
0.5-0.6	1824
0.6-0.7	122
0.7-0.8	0
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
Remote Similarity	0.6571	NPC62995
Remote Similarity	0.6561	NPC160666
Remote Similarity	0.6549	NPC263937
Remote Similarity	0.6549	NPC94428
Remote Similarity	0.6517	NPC74619
Remote Similarity	0.6468	NPC280638
Remote Similarity	0.6455	NPC150447
Remote Similarity	0.6434	NPC123839
Remote Similarity	0.6426	NPC250178
Remote Similarity	0.6418	NPC63109
Remote Similarity	0.6411	NPC312645
Remote Similarity	0.6411	NPC267811
Remote Similarity	0.6408	NPC242923
Remote Similarity	0.6397	NPC477979
Remote Similarity	0.6392	NPC116622
Remote Similarity	0.6379	NPC243850
Remote Similarity	0.6367	NPC21461
Remote Similarity	0.6352	NPC266249
Remote Similarity	0.6345	NPC471197
Remote Similarity	0.6345	NPC244425
Remote Similarity	0.6345	NPC15384
Remote Similarity	0.632	NPC467439
Remote Similarity	0.632	NPC471198
Remote Similarity	0.6302	NPC107836
Remote Similarity	0.629	NPC89508
Remote Similarity	0.6286	NPC116555
Remote Similarity	0.6269	NPC57453
Remote Similarity	0.6255	NPC51854
Remote Similarity	0.625	NPC107160
Remote Similarity	0.625	NPC474916
Remote Similarity	0.624	NPC54537
Remote Similarity	0.6235	NPC313884
Remote Similarity	0.6235	NPC98371
Remote Similarity	0.6231	NPC158055
Remote Similarity	0.623	NPC308906
Remote Similarity	0.6218	NPC192306
Remote Similarity	0.6217	NPC9729
Remote Similarity	0.6212	NPC171393
Remote Similarity	0.6212	NPC295452
Remote Similarity	0.6196	NPC229893
Remote Similarity	0.6194	NPC165964
Remote Similarity	0.6187	NPC187145
Remote Similarity	0.6175	NPC36405
Remote Similarity	0.6172	NPC471615
Remote Similarity	0.6169	NPC182222
Remote Similarity	0.6166	NPC48317
Remote Similarity	0.6163	NPC132539
Remote Similarity	0.6163	NPC472259
Remote Similarity	0.616	NPC282247
Remote Similarity	0.6154	NPC472436
Remote Similarity	0.6148	NPC57398
Remote Similarity	0.6139	NPC69843
Remote Similarity	0.6134	NPC472066
Remote Similarity	0.6134	NPC472031
Remote Similarity	0.6134	NPC472067
Remote Similarity	0.6128	NPC477806
Remote Similarity	0.6128	NPC477805
Remote Similarity	0.6128	NPC477796
Remote Similarity	0.6128	NPC476341
Remote Similarity	0.6128	NPC477795
Remote Similarity	0.6126	NPC248601
Remote Similarity	0.6122	NPC15801
Remote Similarity	0.6121	NPC77101
Remote Similarity	0.612	NPC118940
Remote Similarity	0.6109	NPC245756
Remote Similarity	0.6109	NPC35761
Remote Similarity	0.6105	NPC311451
Remote Similarity	0.6103	NPC472435
Remote Similarity	0.6098	NPC477633
Remote Similarity	0.6092	NPC935
Remote Similarity	0.6092	NPC267078
Remote Similarity	0.6092	NPC328924
Remote Similarity	0.6089	NPC285192
Remote Similarity	0.6087	NPC12100
Remote Similarity	0.6078	NPC272174
Remote Similarity	0.6075	NPC471782
Remote Similarity	0.6075	NPC472207
Remote Similarity	0.6075	NPC471583
Remote Similarity	0.6073	NPC472846
Remote Similarity	0.6073	NPC313280
Remote Similarity	0.6073	NPC472287
Remote Similarity	0.6073	NPC472286
Remote Similarity	0.6069	NPC220852
Remote Similarity	0.6069	NPC474357
Remote Similarity	0.6066	NPC131273
Remote Similarity	0.6066	NPC473441
Remote Similarity	0.6061	NPC317054
Remote Similarity	0.6061	NPC285343
Remote Similarity	0.6059	NPC472068
Remote Similarity	0.6058	NPC258048
Remote Similarity	0.6057	NPC165599
Remote Similarity	0.6056	NPC244856
Remote Similarity	0.6055	NPC474896
Remote Similarity	0.6054	NPC260434
Remote Similarity	0.6054	NPC470323
Remote Similarity	0.6049	NPC239954
Remote Similarity	0.6048	NPC471155
Remote Similarity	0.6048	NPC470786
Remote Similarity	0.6048	NPC244741
Remote Similarity	0.6045	NPC472434
Remote Similarity	0.6039	NPC136924
Remote Similarity	0.6038	NPC237978
Remote Similarity	0.6038	NPC278540
Remote Similarity	0.6033	NPC102592
Remote Similarity	0.6033	NPC79356
Remote Similarity	0.6031	NPC89987
Remote Similarity	0.6031	NPC31097
Remote Similarity	0.6029	NPC1203
Remote Similarity	0.6024	NPC270241
Remote Similarity	0.6024	NPC71238
Remote Similarity	0.6021	NPC472842
Remote Similarity	0.6017	NPC198673
Remote Similarity	0.6016	NPC82370
Remote Similarity	0.6008	NPC133782
Remote Similarity	0.6008	NPC141053
Remote Similarity	0.6008	NPC225400
Remote Similarity	0.6008	NPC144474
Remote Similarity	0.6008	NPC527
Remote Similarity	0.6007	NPC314882
Remote Similarity	0.6	NPC28945
Remote Similarity	0.6	NPC129909
Remote Similarity	0.6	NPC279589
Remote Similarity	0.5993	NPC148889
Remote Similarity	0.5993	NPC473800
Remote Similarity	0.5992	NPC471603
Remote Similarity	0.5992	NPC295548
Remote Similarity	0.5992	NPC103388
Remote Similarity	0.5992	NPC135950
Remote Similarity	0.5992	NPC101676
Remote Similarity	0.5992	NPC17305
Remote Similarity	0.5984	NPC177996
Remote Similarity	0.5984	NPC156044
Remote Similarity	0.5984	NPC472538
Remote Similarity	0.5984	NPC147983
Remote Similarity	0.5984	NPC168911
Remote Similarity	0.5984	NPC212213
Remote Similarity	0.5983	NPC75544
Remote Similarity	0.5983	NPC61435
Remote Similarity	0.5979	NPC45048
Remote Similarity	0.5978	NPC478006
Remote Similarity	0.5977	NPC315822
Remote Similarity	0.5977	NPC33949
Remote Similarity	0.5976	NPC471944
Remote Similarity	0.5969	NPC46970
Remote Similarity	0.5968	NPC54744
Remote Similarity	0.5968	NPC306644
Remote Similarity	0.5968	NPC236424
Remote Similarity	0.5961	NPC238945
Remote Similarity	0.5961	NPC472285
Remote Similarity	0.5959	NPC103361
Remote Similarity	0.5955	NPC471614
Remote Similarity	0.5953	NPC323969
Remote Similarity	0.5952	NPC54981
Remote Similarity	0.5949	NPC285923
Remote Similarity	0.5947	NPC329631
Remote Similarity	0.5946	NPC64216
Remote Similarity	0.5945	NPC274842
Remote Similarity	0.5945	NPC50511
Remote Similarity	0.5943	NPC478009
Remote Similarity	0.5943	NPC141454
Remote Similarity	0.5943	NPC478010
Remote Similarity	0.5939	NPC323244
Remote Similarity	0.5934	NPC14812
Remote Similarity	0.5932	NPC315062
Remote Similarity	0.5929	NPC111732
Remote Similarity	0.5925	NPC316411
Remote Similarity	0.5925	NPC208898
Remote Similarity	0.5923	NPC469938
Remote Similarity	0.5922	NPC322064
Remote Similarity	0.5919	NPC63971
Remote Similarity	0.5919	NPC91868
Remote Similarity	0.5918	NPC101350
Remote Similarity	0.5907	NPC315467
Remote Similarity	0.5906	NPC53534
Remote Similarity	0.5904	NPC477420
Remote Similarity	0.5904	NPC25442
Remote Similarity	0.5904	NPC12944
Remote Similarity	0.5904	NPC477418
Remote Similarity	0.5902	NPC472539
Remote Similarity	0.5902	NPC472540
Remote Similarity	0.5902	NPC472116
Remote Similarity	0.5902	NPC470787
Remote Similarity	0.5896	NPC470280
Remote Similarity	0.5894	NPC192674
Remote Similarity	0.5893	NPC152620
Remote Similarity	0.588	NPC315638
Remote Similarity	0.588	NPC313796
Remote Similarity	0.588	NPC313345
Remote Similarity	0.588	NPC314855
Remote Similarity	0.588	NPC235685
Remote Similarity	0.5878	NPC257851
Remote Similarity	0.5878	NPC472541
Remote Similarity	0.5878	NPC472542
Remote Similarity	0.5874	NPC37473
Remote Similarity	0.5874	NPC477634
Remote Similarity	0.5873	NPC478158
Remote Similarity	0.5871	NPC267853
Remote Similarity	0.587	NPC79223
Remote Similarity	0.5868	NPC472097
Remote Similarity	0.5865	NPC327769

Drug Structure

NPD7197 OpenBabel08211711362D 43 47 0 0 0 0 0 0 0 0999 V2000 -0.3759 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2719 0.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8315 -2.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7269 -1.7212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3269 -0.9091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 4.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 4.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0701 -0.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 4.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 3.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9641 2.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0981 1.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0981 3.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2321 1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8301 1.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2844 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4059 0.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9641 1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2321 2.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 3.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 2.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4923 0.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0211 -0.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6391 -0.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5902 -0.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3232 1.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9179 -2.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3301 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 0.9511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 0.9511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8301 0.0388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7981 0.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9164 2.9008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5112 -3.2226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3333 -0.9091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3013 1.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8232 1.1213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5878 -0.8090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5167 -3.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 17 1 0 0 0 0 3 29 1 0 0 0 0 4 29 1 0 0 0 0 5 8 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 8 23 1 0 0 0 0 9 20 2 0 0 0 0 10 21 2 0 0 0 0 11 13 1 0 0 0 0 11 18 2 0 0 0 0 12 14 2 0 0 0 0 12 18 1 0 0 0 0 13 19 2 0 0 0 0 14 19 1 0 0 0 0 15 18 1 0 0 0 0 15 35 1 0 0 0 0 16 22 1 0 0 0 0 16 39 1 0 0 0 0 17 22 2 0 0 0 0 17 40 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 26 1 0 0 0 0 22 41 1 0 0 0 0 23 30 2 0 0 0 0 23 35 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 24 35 1 0 0 0 0 25 29 1 0 0 0 0 25 30 1 0 0 0 0 26 31 2 0 0 0 0 26 32 1 0 0 0 0 27 36 2 0 0 0 0 27 39 1 0 0 0 0 28 37 2 0 0 0 0 28 40 1 0 0 0 0 28 41 1 0 0 0 0 29 38 1 0 0 0 0 31 33 1 0 0 0 0 32 34 2 0 0 0 0 33 34 1 0 0 0 0 33 42 1 0 0 0 0 38 43 1 0 0 0 0 M END $$$$

External Identifiers

TTD	DAP001412
DrugBank
ChEMBL
IUPHAR/BPS	591
PharmaGKB
KEGG Drug
PubChem CID	130881
ChEBI
CAS Number

Drug Properties

Molecular Weight	558.22
ALogP	-0.3926
MLogP	3.33
XLogP	7.436
HDA	12
HBD	2
Rotatable Bonds	16
TPSA	154.34
RO5 Violation	3