NPASS drugs

Drug Information

Drug ID:	NPD1756
Drug Name:	Meperidine
Molecular Formula:	C15H21NO2
Canonical SMILES:	CCOC(=O)C1(CCN(CC1)C)c1ccccc1
Standard InCHI:	InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
Standard InCHIKey:	XADCESSVHJOZHK-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	TTD; ChEMBL; IUPHAR/BPS

Structural Similarity Between NPASS Natural Products and NPD1756

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	71
0.1-0.2	527
0.2-0.3	1696
0.3-0.4	6092
0.4-0.5	15786
0.5-0.6	5889
0.6-0.7	788
0.7-0.8	35
0.8-0.85	5
0.85-0.9	0
0.9-0.95	0
0.95-1	1

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
High Similarity	1.0	NPC158854
Intermediate Similarity	0.822	NPC291027
Intermediate Similarity	0.822	NPC169485
Intermediate Similarity	0.822	NPC84281
Intermediate Similarity	0.822	NPC213126
Intermediate Similarity	0.822	NPC317474
Intermediate Similarity	0.7822	NPC294134
Intermediate Similarity	0.7778	NPC322598
Intermediate Similarity	0.7769	NPC26285
Intermediate Similarity	0.776	NPC69496
Intermediate Similarity	0.7724	NPC474847
Intermediate Similarity	0.7717	NPC313663
Intermediate Similarity	0.7692	NPC9822
Intermediate Similarity	0.7679	NPC476198
Intermediate Similarity	0.7661	NPC65310
Intermediate Similarity	0.7624	NPC288903
Intermediate Similarity	0.7578	NPC233910
Intermediate Similarity	0.7578	NPC245836
Intermediate Similarity	0.7525	NPC323103
Intermediate Similarity	0.7451	NPC270507
Intermediate Similarity	0.7353	NPC103387
Intermediate Similarity	0.7333	NPC322387
Intermediate Similarity	0.7327	NPC121800
Intermediate Similarity	0.729	NPC70940
Intermediate Similarity	0.729	NPC86670
Intermediate Similarity	0.729	NPC274455
Intermediate Similarity	0.7228	NPC170484
Intermediate Similarity	0.7222	NPC285394
Intermediate Similarity	0.7218	NPC281104
Intermediate Similarity	0.7217	NPC167336
Intermediate Similarity	0.7207	NPC226041
Intermediate Similarity	0.7115	NPC285773
Intermediate Similarity	0.7103	NPC329064
Intermediate Similarity	0.708	NPC221825
Intermediate Similarity	0.708	NPC12730
Intermediate Similarity	0.7069	NPC67043
Intermediate Similarity	0.7054	NPC270654
Intermediate Similarity	0.7034	NPC469636
Intermediate Similarity	0.7018	NPC473325
Intermediate Similarity	0.7009	NPC142326
Intermediate Similarity	0.7009	NPC94751
Remote Similarity	0.6991	NPC78701
Remote Similarity	0.6991	NPC35448
Remote Similarity	0.6981	NPC475710
Remote Similarity	0.6977	NPC136453
Remote Similarity	0.6975	NPC65855
Remote Similarity	0.6975	NPC292758
Remote Similarity	0.6972	NPC84288
Remote Similarity	0.6952	NPC44830
Remote Similarity	0.693	NPC146351
Remote Similarity	0.693	NPC7435
Remote Similarity	0.6923	NPC89923
Remote Similarity	0.6923	NPC71933
Remote Similarity	0.6923	NPC473418
Remote Similarity	0.6923	NPC105114
Remote Similarity	0.6923	NPC239990
Remote Similarity	0.6923	NPC152850
Remote Similarity	0.6917	NPC210089
Remote Similarity	0.6909	NPC86987
Remote Similarity	0.6905	NPC190663
Remote Similarity	0.6905	NPC80150
Remote Similarity	0.6903	NPC122493
Remote Similarity	0.6903	NPC10781
Remote Similarity	0.6903	NPC249912
Remote Similarity	0.6903	NPC324569
Remote Similarity	0.6903	NPC276775
Remote Similarity	0.6903	NPC293628
Remote Similarity	0.6903	NPC92754
Remote Similarity	0.6884	NPC471516
Remote Similarity	0.6881	NPC220893
Remote Similarity	0.6881	NPC231591
Remote Similarity	0.688	NPC310467
Remote Similarity	0.6875	NPC256452
Remote Similarity	0.6875	NPC172925
Remote Similarity	0.687	NPC42211
Remote Similarity	0.6852	NPC89377
Remote Similarity	0.6842	NPC271475
Remote Similarity	0.6842	NPC225060
Remote Similarity	0.6838	NPC316906
Remote Similarity	0.6827	NPC127343
Remote Similarity	0.6807	NPC56493
Remote Similarity	0.6803	NPC128368
Remote Similarity	0.68	NPC169328
Remote Similarity	0.6797	NPC160493
Remote Similarity	0.6794	NPC305717
Remote Similarity	0.6786	NPC71140
Remote Similarity	0.6786	NPC474974
Remote Similarity	0.6783	NPC118343
Remote Similarity	0.6783	NPC476042
Remote Similarity	0.6777	NPC167504
Remote Similarity	0.6777	NPC474157
Remote Similarity	0.6777	NPC313981
Remote Similarity	0.6772	NPC478015
Remote Similarity	0.6772	NPC478014
Remote Similarity	0.6772	NPC478016
Remote Similarity	0.6769	NPC4974
Remote Similarity	0.6767	NPC157311
Remote Similarity	0.6765	NPC478140
Remote Similarity	0.6763	NPC475128
Remote Similarity	0.6757	NPC317645
Remote Similarity	0.6752	NPC301943
Remote Similarity	0.6752	NPC164859
Remote Similarity	0.6752	NPC474365
Remote Similarity	0.6752	NPC160382
Remote Similarity	0.675	NPC83628
Remote Similarity	0.675	NPC10251
Remote Similarity	0.675	NPC265407
Remote Similarity	0.675	NPC17417
Remote Similarity	0.6742	NPC103605
Remote Similarity	0.6742	NPC81092
Remote Similarity	0.6726	NPC130398
Remote Similarity	0.6724	NPC133809
Remote Similarity	0.6724	NPC264728
Remote Similarity	0.6724	NPC316797
Remote Similarity	0.6724	NPC128248
Remote Similarity	0.6724	NPC136810
Remote Similarity	0.6724	NPC225079
Remote Similarity	0.6724	NPC70624
Remote Similarity	0.6723	NPC474111
Remote Similarity	0.6723	NPC329705
Remote Similarity	0.6723	NPC119271
Remote Similarity	0.6721	NPC82899
Remote Similarity	0.6721	NPC79496
Remote Similarity	0.6721	NPC270699
Remote Similarity	0.6716	NPC44805
Remote Similarity	0.6716	NPC8761
Remote Similarity	0.6712	NPC161827
Remote Similarity	0.6698	NPC230068
Remote Similarity	0.6697	NPC17497
Remote Similarity	0.6697	NPC305602
Remote Similarity	0.6694	NPC33742
Remote Similarity	0.6694	NPC251854
Remote Similarity	0.6694	NPC174099
Remote Similarity	0.6694	NPC472164
Remote Similarity	0.6694	NPC214067
Remote Similarity	0.6694	NPC196246
Remote Similarity	0.6694	NPC24777
Remote Similarity	0.6694	NPC93084
Remote Similarity	0.6693	NPC204784
Remote Similarity	0.6691	NPC161069
Remote Similarity	0.6667	NPC95965
Remote Similarity	0.6667	NPC240108
Remote Similarity	0.6667	NPC29285
Remote Similarity	0.6667	NPC213156
Remote Similarity	0.6667	NPC45794
Remote Similarity	0.6667	NPC249811
Remote Similarity	0.6667	NPC261947
Remote Similarity	0.6667	NPC258627
Remote Similarity	0.6667	NPC469547
Remote Similarity	0.6667	NPC58616
Remote Similarity	0.6641	NPC473243
Remote Similarity	0.664	NPC188010
Remote Similarity	0.664	NPC197470
Remote Similarity	0.6639	NPC209632
Remote Similarity	0.6639	NPC471186
Remote Similarity	0.6639	NPC269457
Remote Similarity	0.6639	NPC1082
Remote Similarity	0.6639	NPC319579
Remote Similarity	0.6639	NPC305912
Remote Similarity	0.6639	NPC137315
Remote Similarity	0.6638	NPC325497
Remote Similarity	0.6637	NPC23453
Remote Similarity	0.6636	NPC304760
Remote Similarity	0.6622	NPC153694
Remote Similarity	0.6622	NPC211525
Remote Similarity	0.662	NPC260194
Remote Similarity	0.6617	NPC469666
Remote Similarity	0.6617	NPC165726
Remote Similarity	0.6617	NPC213969
Remote Similarity	0.6613	NPC276949
Remote Similarity	0.6613	NPC35850
Remote Similarity	0.6613	NPC307651
Remote Similarity	0.661	NPC60679
Remote Similarity	0.661	NPC329556
Remote Similarity	0.661	NPC471317
Remote Similarity	0.661	NPC89886
Remote Similarity	0.6609	NPC477767
Remote Similarity	0.6593	NPC246913
Remote Similarity	0.6591	NPC124776
Remote Similarity	0.6589	NPC50872
Remote Similarity	0.6585	NPC321852
Remote Similarity	0.6585	NPC269340
Remote Similarity	0.6585	NPC280789
Remote Similarity	0.6583	NPC45033
Remote Similarity	0.6583	NPC191215
Remote Similarity	0.6583	NPC327481
Remote Similarity	0.6583	NPC274089
Remote Similarity	0.6581	NPC214200
Remote Similarity	0.6581	NPC228400
Remote Similarity	0.6579	NPC58674
Remote Similarity	0.6577	NPC63210
Remote Similarity	0.6577	NPC173443
Remote Similarity	0.6577	NPC263709
Remote Similarity	0.6577	NPC310403
Remote Similarity	0.6577	NPC148468
Remote Similarity	0.6577	NPC97380
Remote Similarity	0.6577	NPC243673
Remote Similarity	0.6573	NPC473541
Remote Similarity	0.6569	NPC90194
Remote Similarity	0.6569	NPC475598

Drug Structure

External Identifiers

TTD	DAP000230
DrugBank	DB00454
ChEMBL	CHEMBL607
IUPHAR/BPS	7221
PharmaGKB	PA450369
KEGG Drug
PubChem CID	4058
ChEBI	6754
CAS Number	57-42-1

Drug Properties

Molecular Weight	247.16
ALogP	0.5417
MLogP	2.78
XLogP	3.831
HDA	3
HBD	0
Rotatable Bonds	6
TPSA	29.54
RO5 Violation	0