Drug Information

Drug ID:  NPD3594
Drug Name:  Levallorphan Tartrate
Molecular Formula:  C19H25NO.C4H6O6
Canonical SMILES:  OC(C(C(=O)O)O)C(=O)O.C=CCN1CC[C@@]23[C@H]([C@H]1Cc1c3cc(cc1)O)CCCC2
Standard InCHI:  InChI=1S/C19H25NO.C4H6O6/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19;5-1(3(7)8)2(6)4(9)10/h2,6-7,13,16,18,21H,1,3-5,8-12H2;1-2,5-6H,(H,7,8)(H,9,10)/t16-,18+,19+;/m0./s1
Standard InCHIKey:  FWMLYVACGDQRFU-MBHUSPCXSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3594

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
High Similarity 1.0 NPC124802
High Similarity 0.9756 NPC89769
High Similarity 0.9756 NPC126859
High Similarity 0.9756 NPC259665
High Similarity 0.9754 NPC268763
High Similarity 0.9754 NPC66177
High Similarity 0.9754 NPC8305
High Similarity 0.9444 NPC149379
High Similarity 0.8779 NPC325568
Intermediate Similarity 0.8071 NPC470925
Intermediate Similarity 0.7955 NPC307020
Intermediate Similarity 0.792 NPC322753
Intermediate Similarity 0.784 NPC141782
Intermediate Similarity 0.7823 NPC11554
Intermediate Similarity 0.7801 NPC211468
Intermediate Similarity 0.7801 NPC170170
Intermediate Similarity 0.7801 NPC219233
Intermediate Similarity 0.7778 NPC176279
Intermediate Similarity 0.7778 NPC260323
Intermediate Similarity 0.7763 NPC166014
Intermediate Similarity 0.7763 NPC27410
Intermediate Similarity 0.7746 NPC323123
Intermediate Similarity 0.7734 NPC195922
Intermediate Similarity 0.7718 NPC26601
Intermediate Similarity 0.7717 NPC250323
Intermediate Similarity 0.7698 NPC13482
Intermediate Similarity 0.7662 NPC1229
Intermediate Similarity 0.7615 NPC471668
Intermediate Similarity 0.7603 NPC185838
Intermediate Similarity 0.7597 NPC268160
Intermediate Similarity 0.7548 NPC324144
Intermediate Similarity 0.7541 NPC155847
Intermediate Similarity 0.7541 NPC289381
Intermediate Similarity 0.7538 NPC147179
Intermediate Similarity 0.7538 NPC35797
Intermediate Similarity 0.7538 NPC192948
Intermediate Similarity 0.7533 NPC81733
Intermediate Similarity 0.7533 NPC326316
Intermediate Similarity 0.7532 NPC226428
Intermediate Similarity 0.7519 NPC715
Intermediate Similarity 0.7516 NPC158376
Intermediate Similarity 0.7516 NPC306555
Intermediate Similarity 0.7516 NPC81218
Intermediate Similarity 0.7516 NPC117188
Intermediate Similarity 0.7516 NPC205421
Intermediate Similarity 0.7516 NPC12053
Intermediate Similarity 0.7516 NPC145832
Intermediate Similarity 0.7516 NPC298979
Intermediate Similarity 0.7516 NPC474931
Intermediate Similarity 0.75 NPC48342
Intermediate Similarity 0.75 NPC212794
Intermediate Similarity 0.75 NPC136508
Intermediate Similarity 0.75 NPC78222
Intermediate Similarity 0.75 NPC476151
Intermediate Similarity 0.75 NPC13504
Intermediate Similarity 0.75 NPC95716
Intermediate Similarity 0.75 NPC253043
Intermediate Similarity 0.75 NPC77772
Intermediate Similarity 0.75 NPC255607
Intermediate Similarity 0.75 NPC477563
Intermediate Similarity 0.75 NPC164649
Intermediate Similarity 0.75 NPC196447
Intermediate Similarity 0.75 NPC321505
Intermediate Similarity 0.75 NPC179825
Intermediate Similarity 0.75 NPC3375
Intermediate Similarity 0.75 NPC96603
Intermediate Similarity 0.75 NPC306843
Intermediate Similarity 0.75 NPC191376
Intermediate Similarity 0.7481 NPC38893
Intermediate Similarity 0.7481 NPC477137
Intermediate Similarity 0.7481 NPC219112
Intermediate Similarity 0.7481 NPC308828
Intermediate Similarity 0.7481 NPC308311
Intermediate Similarity 0.7468 NPC221864
Intermediate Similarity 0.746 NPC151477
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 0.7444 NPC93071
Intermediate Similarity 0.7444 NPC42657
Intermediate Similarity 0.7444 NPC126002
Intermediate Similarity 0.7442 NPC46940
Intermediate Similarity 0.7431 NPC150712
Intermediate Similarity 0.7424 NPC477136
Intermediate Similarity 0.7424 NPC16030
Intermediate Similarity 0.7424 NPC172219
Intermediate Similarity 0.7424 NPC304510
Intermediate Similarity 0.7419 NPC235143
Intermediate Similarity 0.7419 NPC119649
Intermediate Similarity 0.7419 NPC230956
Intermediate Similarity 0.7419 NPC205255
Intermediate Similarity 0.7419 NPC271388
Intermediate Similarity 0.7407 NPC109151
Intermediate Similarity 0.7403 NPC79328
Intermediate Similarity 0.74 NPC103379
Intermediate Similarity 0.74 NPC477565
Intermediate Similarity 0.7398 NPC211885
Intermediate Similarity 0.7391 NPC329969
Intermediate Similarity 0.7388 NPC99734
Intermediate Similarity 0.7388 NPC321133
Intermediate Similarity 0.7388 NPC318552
Intermediate Similarity 0.7388 NPC190501
Intermediate Similarity 0.7385 NPC322239
Intermediate Similarity 0.7385 NPC321589
Intermediate Similarity 0.7383 NPC144863
Intermediate Similarity 0.7383 NPC90844
Intermediate Similarity 0.7383 NPC253883
Intermediate Similarity 0.7383 NPC95075
Intermediate Similarity 0.7376 NPC33338
Intermediate Similarity 0.7376 NPC302171
Intermediate Similarity 0.7376 NPC300020
Intermediate Similarity 0.7372 NPC79402
Intermediate Similarity 0.7372 NPC80759
Intermediate Similarity 0.7368 NPC469609
Intermediate Similarity 0.7368 NPC471671
Intermediate Similarity 0.7364 NPC266937
Intermediate Similarity 0.7364 NPC470770
Intermediate Similarity 0.7361 NPC193528
Intermediate Similarity 0.7351 NPC192768
Intermediate Similarity 0.7351 NPC151895
Intermediate Similarity 0.7351 NPC97221
Intermediate Similarity 0.7351 NPC88249
Intermediate Similarity 0.7351 NPC220858
Intermediate Similarity 0.7348 NPC92
Intermediate Similarity 0.7348 NPC141001
Intermediate Similarity 0.7348 NPC82963
Intermediate Similarity 0.7348 NPC469663
Intermediate Similarity 0.7344 NPC314187
Intermediate Similarity 0.7344 NPC58865
Intermediate Similarity 0.7338 NPC186063
Intermediate Similarity 0.7333 NPC328504
Intermediate Similarity 0.7328 NPC471534
Intermediate Similarity 0.7324 NPC132847
Intermediate Similarity 0.7313 NPC469644
Intermediate Similarity 0.7312 NPC118274
Intermediate Similarity 0.7312 NPC168753
Intermediate Similarity 0.7308 NPC62867
Intermediate Similarity 0.7308 NPC177962
Intermediate Similarity 0.7308 NPC475780
Intermediate Similarity 0.7305 NPC257390
Intermediate Similarity 0.7303 NPC8337
Intermediate Similarity 0.7303 NPC85747
Intermediate Similarity 0.7302 NPC117115
Intermediate Similarity 0.7293 NPC38458
Intermediate Similarity 0.7293 NPC299180
Intermediate Similarity 0.7293 NPC311737
Intermediate Similarity 0.729 NPC476572
Intermediate Similarity 0.7287 NPC474149
Intermediate Similarity 0.7285 NPC219162
Intermediate Similarity 0.7285 NPC207824
Intermediate Similarity 0.7285 NPC60538
Intermediate Similarity 0.7285 NPC92541
Intermediate Similarity 0.7279 NPC142198
Intermediate Similarity 0.7279 NPC77569
Intermediate Similarity 0.7278 NPC134858
Intermediate Similarity 0.7273 NPC39701
Intermediate Similarity 0.7273 NPC469719
Intermediate Similarity 0.7273 NPC249797
Intermediate Similarity 0.7273 NPC110416
Intermediate Similarity 0.7273 NPC99659
Intermediate Similarity 0.7273 NPC189266
Intermediate Similarity 0.7273 NPC2413
Intermediate Similarity 0.7273 NPC325871
Intermediate Similarity 0.7273 NPC469817
Intermediate Similarity 0.7273 NPC184026
Intermediate Similarity 0.7273 NPC127674
Intermediate Similarity 0.7273 NPC5238
Intermediate Similarity 0.7273 NPC295691
Intermediate Similarity 0.7273 NPC204828
Intermediate Similarity 0.7273 NPC172765
Intermediate Similarity 0.7273 NPC278799
Intermediate Similarity 0.7273 NPC207757
Intermediate Similarity 0.7273 NPC276588
Intermediate Similarity 0.7273 NPC54379
Intermediate Similarity 0.7273 NPC193949
Intermediate Similarity 0.7267 NPC239775
Intermediate Similarity 0.7266 NPC24101
Intermediate Similarity 0.7266 NPC96224
Intermediate Similarity 0.726 NPC314682
Intermediate Similarity 0.7259 NPC135467
Intermediate Similarity 0.7259 NPC260832
Intermediate Similarity 0.7244 NPC271274
Intermediate Similarity 0.7244 NPC21594
Intermediate Similarity 0.7236 NPC32674
Intermediate Similarity 0.7236 NPC225464
Intermediate Similarity 0.7226 NPC203784
Intermediate Similarity 0.7226 NPC180756
Intermediate Similarity 0.7226 NPC323443
Intermediate Similarity 0.7226 NPC170503
Intermediate Similarity 0.7226 NPC126519
Intermediate Similarity 0.7226 NPC147091
Intermediate Similarity 0.7226 NPC29647
Intermediate Similarity 0.7222 NPC192135

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  283.19
ALogP  -0.3827
MLogP  3.33
XLogP  4.303
HDA  1
HBD  1
Rotatable Bonds  3
TPSA  23.47
RO5 Violation  0