NPASS drugs

Drug Information

Drug ID:	NPD2605
Drug Name:	Levorphanol Tartrate
Molecular Formula:	C17H23NO.C4H6O6
Canonical SMILES:	OC(C(C(=O)O)O)C(=O)O.Oc1ccc2c(c1)[C@]13CCCC[C@H]3[C@@H](C2)N(CC1)C
Standard InCHI:	InChI=1S/C17H23NO.C4H6O6/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17;5-1(3(7)8)2(6)4(9)10/h5-6,11,14,16,19H,2-4,7-10H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t14-,16+,17+;/m0./s1
Standard InCHIKey:	RWTWIZDKEIWLKQ-DYWKTHLTSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD2605

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	182
0.1-0.2	1087
0.2-0.3	3003
0.3-0.4	7594
0.4-0.5	7038
0.5-0.6	9209
0.6-0.7	2372
0.7-0.8	393
0.8-0.85	3
0.85-0.9	1
0.9-0.95	1
0.95-1	7

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	0.9918	NPC126859
High Similarity	0.9918	NPC259665
High Similarity	0.9918	NPC89769
High Similarity	0.9836	NPC124802
High Similarity	0.9754	NPC8305
High Similarity	0.9754	NPC268763
High Similarity	0.9754	NPC66177
High Similarity	0.9444	NPC149379
High Similarity	0.8923	NPC325568
Intermediate Similarity	0.8092	NPC307020
Intermediate Similarity	0.8071	NPC470925
Intermediate Similarity	0.8065	NPC322753
Intermediate Similarity	0.7984	NPC141782
Intermediate Similarity	0.7967	NPC11554
Intermediate Similarity	0.792	NPC176279
Intermediate Similarity	0.792	NPC260323
Intermediate Similarity	0.7874	NPC195922
Intermediate Similarity	0.7857	NPC250323
Intermediate Similarity	0.784	NPC13482
Intermediate Similarity	0.7763	NPC166014
Intermediate Similarity	0.7763	NPC27410
Intermediate Similarity	0.7752	NPC471668
Intermediate Similarity	0.7734	NPC268160
Intermediate Similarity	0.7718	NPC26601
Intermediate Similarity	0.7686	NPC289381
Intermediate Similarity	0.7686	NPC155847
Intermediate Similarity	0.7676	NPC211468
Intermediate Similarity	0.7676	NPC170170
Intermediate Similarity	0.7676	NPC219233
Intermediate Similarity	0.7674	NPC35797
Intermediate Similarity	0.7674	NPC147179
Intermediate Similarity	0.7674	NPC192948
Intermediate Similarity	0.7662	NPC1229
Intermediate Similarity	0.7656	NPC715
Intermediate Similarity	0.7638	NPC95716
Intermediate Similarity	0.7638	NPC77772
Intermediate Similarity	0.7634	NPC48342
Intermediate Similarity	0.7634	NPC164649
Intermediate Similarity	0.7622	NPC323123
Intermediate Similarity	0.7615	NPC477137
Intermediate Similarity	0.7615	NPC38893
Intermediate Similarity	0.7615	NPC308828
Intermediate Similarity	0.7615	NPC219112
Intermediate Similarity	0.7615	NPC308311
Intermediate Similarity	0.7603	NPC185838
Intermediate Similarity	0.76	NPC151477
Intermediate Similarity	0.7578	NPC46940
Intermediate Similarity	0.7576	NPC126002
Intermediate Similarity	0.7576	NPC93071
Intermediate Similarity	0.7576	NPC42657
Intermediate Similarity	0.7557	NPC477136
Intermediate Similarity	0.7557	NPC172219
Intermediate Similarity	0.7557	NPC304510
Intermediate Similarity	0.7557	NPC16030
Intermediate Similarity	0.7552	NPC150712
Intermediate Similarity	0.7548	NPC324144
Intermediate Similarity	0.7541	NPC211885
Intermediate Similarity	0.7537	NPC109151
Intermediate Similarity	0.7533	NPC81733
Intermediate Similarity	0.7533	NPC326316
Intermediate Similarity	0.7532	NPC226428
Intermediate Similarity	0.7519	NPC318552
Intermediate Similarity	0.7519	NPC321133
Intermediate Similarity	0.7519	NPC190501
Intermediate Similarity	0.7519	NPC99734
Intermediate Similarity	0.7516	NPC158376
Intermediate Similarity	0.7516	NPC306555
Intermediate Similarity	0.7516	NPC205421
Intermediate Similarity	0.7516	NPC12053
Intermediate Similarity	0.7516	NPC145832
Intermediate Similarity	0.7516	NPC298979
Intermediate Similarity	0.7516	NPC81218
Intermediate Similarity	0.7516	NPC117188
Intermediate Similarity	0.7516	NPC474931
Intermediate Similarity	0.75	NPC469609
Intermediate Similarity	0.75	NPC212794
Intermediate Similarity	0.75	NPC136508
Intermediate Similarity	0.75	NPC329969
Intermediate Similarity	0.75	NPC78222
Intermediate Similarity	0.75	NPC476151
Intermediate Similarity	0.75	NPC470770
Intermediate Similarity	0.75	NPC253043
Intermediate Similarity	0.75	NPC196447
Intermediate Similarity	0.75	NPC13504
Intermediate Similarity	0.75	NPC321505
Intermediate Similarity	0.75	NPC255607
Intermediate Similarity	0.75	NPC477563
Intermediate Similarity	0.75	NPC179825
Intermediate Similarity	0.75	NPC3375
Intermediate Similarity	0.75	NPC266937
Intermediate Similarity	0.75	NPC471671
Intermediate Similarity	0.75	NPC96603
Intermediate Similarity	0.75	NPC306843
Intermediate Similarity	0.75	NPC191376
Intermediate Similarity	0.7481	NPC141001
Intermediate Similarity	0.7481	NPC92
Intermediate Similarity	0.7481	NPC469663
Intermediate Similarity	0.748	NPC58865
Intermediate Similarity	0.7468	NPC221864
Intermediate Similarity	0.7463	NPC328504
Intermediate Similarity	0.7462	NPC471534
Intermediate Similarity	0.7452	NPC81247
Intermediate Similarity	0.7452	NPC35627
Intermediate Similarity	0.7452	NPC124657
Intermediate Similarity	0.7452	NPC476573
Intermediate Similarity	0.745	NPC246587
Intermediate Similarity	0.745	NPC428
Intermediate Similarity	0.745	NPC135538
Intermediate Similarity	0.745	NPC476571
Intermediate Similarity	0.745	NPC24233
Intermediate Similarity	0.745	NPC147390
Intermediate Similarity	0.7447	NPC132847
Intermediate Similarity	0.7444	NPC469644
Intermediate Similarity	0.7442	NPC177962
Intermediate Similarity	0.7442	NPC62867
Intermediate Similarity	0.744	NPC117115
Intermediate Similarity	0.7429	NPC257390
Intermediate Similarity	0.7422	NPC474149
Intermediate Similarity	0.7419	NPC235143
Intermediate Similarity	0.7419	NPC475780
Intermediate Similarity	0.7419	NPC119649
Intermediate Similarity	0.7419	NPC230956
Intermediate Similarity	0.7419	NPC205255
Intermediate Similarity	0.7419	NPC271388
Intermediate Similarity	0.7407	NPC77569
Intermediate Similarity	0.7407	NPC142198
Intermediate Similarity	0.7405	NPC469719
Intermediate Similarity	0.7403	NPC79328
Intermediate Similarity	0.74	NPC103379
Intermediate Similarity	0.74	NPC477565
Intermediate Similarity	0.7388	NPC135467
Intermediate Similarity	0.7388	NPC260832
Intermediate Similarity	0.7385	NPC321589
Intermediate Similarity	0.7385	NPC322239
Intermediate Similarity	0.7383	NPC144863
Intermediate Similarity	0.7383	NPC253883
Intermediate Similarity	0.7383	NPC90844
Intermediate Similarity	0.7383	NPC95075
Intermediate Similarity	0.7381	NPC21594
Intermediate Similarity	0.7381	NPC271274
Intermediate Similarity	0.7377	NPC225464
Intermediate Similarity	0.7376	NPC33338
Intermediate Similarity	0.7376	NPC300020
Intermediate Similarity	0.7376	NPC302171
Intermediate Similarity	0.7372	NPC80759
Intermediate Similarity	0.7372	NPC79402
Intermediate Similarity	0.7361	NPC193528
Intermediate Similarity	0.7351	NPC192768
Intermediate Similarity	0.7351	NPC151895
Intermediate Similarity	0.7351	NPC97221
Intermediate Similarity	0.7351	NPC220858
Intermediate Similarity	0.7351	NPC88249
Intermediate Similarity	0.7348	NPC474387
Intermediate Similarity	0.7348	NPC82963
Intermediate Similarity	0.7348	NPC474358
Intermediate Similarity	0.7348	NPC137496
Intermediate Similarity	0.7348	NPC247858
Intermediate Similarity	0.7348	NPC257540
Intermediate Similarity	0.7348	NPC154511
Intermediate Similarity	0.7344	NPC314187
Intermediate Similarity	0.7344	NPC65855
Intermediate Similarity	0.7344	NPC292758
Intermediate Similarity	0.7338	NPC186063
Intermediate Similarity	0.7333	NPC32322
Intermediate Similarity	0.7333	NPC259703
Intermediate Similarity	0.7328	NPC118202
Intermediate Similarity	0.7323	NPC320439
Intermediate Similarity	0.7317	NPC298339
Intermediate Similarity	0.7317	NPC92730
Intermediate Similarity	0.7312	NPC118274
Intermediate Similarity	0.7312	NPC168753
Intermediate Similarity	0.7308	NPC228425
Intermediate Similarity	0.7303	NPC8337
Intermediate Similarity	0.7303	NPC85747
Intermediate Similarity	0.7293	NPC38458
Intermediate Similarity	0.7293	NPC299180
Intermediate Similarity	0.7293	NPC311737
Intermediate Similarity	0.729	NPC476572
Intermediate Similarity	0.7285	NPC207824
Intermediate Similarity	0.7285	NPC219162
Intermediate Similarity	0.7285	NPC60538
Intermediate Similarity	0.7285	NPC92541
Intermediate Similarity	0.7279	NPC249340
Intermediate Similarity	0.7279	NPC162935
Intermediate Similarity	0.7279	NPC253627
Intermediate Similarity	0.7278	NPC134858
Intermediate Similarity	0.7273	NPC27323
Intermediate Similarity	0.7273	NPC249797
Intermediate Similarity	0.7273	NPC316301
Intermediate Similarity	0.7273	NPC110416
Intermediate Similarity	0.7273	NPC189266
Intermediate Similarity	0.7273	NPC2413
Intermediate Similarity	0.7273	NPC325871
Intermediate Similarity	0.7273	NPC54379
Intermediate Similarity	0.7273	NPC99659
Intermediate Similarity	0.7273	NPC5238
Intermediate Similarity	0.7273	NPC317254
Intermediate Similarity	0.7273	NPC204828
Intermediate Similarity	0.7273	NPC184026
Intermediate Similarity	0.7273	NPC172765

Drug Structure

NPD2605 OpenBabel08211702172D 34 36 0 0 1 0 0 0 0 0999 V2000 0.4714 -0.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6713 -4.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4874 -3.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8546 -3.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4290 -0.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2456 -1.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4868 -2.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1986 -1.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1984 -0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7963 -1.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4294 -2.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6126 -1.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2458 -2.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8541 -2.7019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6128 -2.2301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8538 -1.7591 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6702 -2.2301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3821 -0.9430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0623 -2.7009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6381 -2.3568 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4545 -1.8854 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.8217 -1.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2709 -2.3568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6381 -3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4545 -0.9427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8217 -0.9427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0053 -2.3568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2709 -3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0873 -1.8854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 -3.6436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8217 -3.7708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6381 -0.4714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0053 -3.2995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9037 -2.3568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 7 1 0 0 0 0 4 14 1 0 0 0 0 5 6 2 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 12 15 2 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 6 0 0 0 15 17 1 0 0 0 0 16 10 1 6 0 0 0 16 18 1 0 0 0 0 17 7 1 6 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 24 1 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 23 28 2 0 0 0 0 23 29 1 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 27 33 1 0 0 0 0 29 34 1 0 0 0 0 M END $$$$

External Identifiers

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

Drug Properties

Molecular Weight	257.18
ALogP	-0.9995
MLogP	3.11
XLogP	3.688
HDA	1
HBD	1
Rotatable Bonds	2
TPSA	23.47
RO5 Violation	0