Drug Information

Drug ID:  NPD5236
Drug Name:  Propoxyphene Napsylate
Molecular Formula:  C22H29NO2.C10H8O3S
Canonical SMILES:  OS(=O)(=O)c1ccc2c(c1)cccc2.CCC(=O)O[C@](c1ccccc1)([C@@H](CN(C)C)C)Cc1ccccc1
Standard InCHI:  InChI=1S/C22H29NO2.C10H8O3S/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h6-15,18H,5,16-17H2,1-4H3;1-7H,(H,11,12,13)/t18-,22+;/m1./s1
Standard InCHIKey:  VZPXFHVJUUSVLH-MYXGOWFTSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD5236

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
Intermediate Similarity 0.8131 NPC316797
Intermediate Similarity 0.775 NPC321133
Intermediate Similarity 0.7692 NPC220893
Intermediate Similarity 0.7623 NPC26285
Intermediate Similarity 0.7596 NPC304760
Intermediate Similarity 0.7565 NPC158854
Intermediate Similarity 0.7565 NPC65855
Intermediate Similarity 0.7565 NPC292758
Intermediate Similarity 0.7565 NPC273837
Intermediate Similarity 0.7549 NPC95429
Intermediate Similarity 0.7547 NPC119631
Intermediate Similarity 0.7541 NPC316896
Intermediate Similarity 0.75 NPC89377
Intermediate Similarity 0.7476 NPC58616
Intermediate Similarity 0.7453 NPC213156
Intermediate Similarity 0.7453 NPC240108
Intermediate Similarity 0.7436 NPC269340
Intermediate Similarity 0.7387 NPC325497
Intermediate Similarity 0.7373 NPC128368
Intermediate Similarity 0.7358 NPC173443
Intermediate Similarity 0.7348 NPC281104
Intermediate Similarity 0.7344 NPC283079
Intermediate Similarity 0.7339 NPC84281
Intermediate Similarity 0.7339 NPC213126
Intermediate Similarity 0.7339 NPC317474
Intermediate Similarity 0.7339 NPC291027
Intermediate Similarity 0.7339 NPC169485
Intermediate Similarity 0.7308 NPC475710
Intermediate Similarity 0.7308 NPC313663
Intermediate Similarity 0.725 NPC221275
Intermediate Similarity 0.7244 NPC65310
Intermediate Similarity 0.7213 NPC45794
Intermediate Similarity 0.7184 NPC103387
Intermediate Similarity 0.7168 NPC42211
Intermediate Similarity 0.7154 NPC254233
Intermediate Similarity 0.7143 NPC322598
Intermediate Similarity 0.712 NPC476281
Intermediate Similarity 0.712 NPC476184
Intermediate Similarity 0.7119 NPC24777
Intermediate Similarity 0.7115 NPC270507
Intermediate Similarity 0.7091 NPC23453
Intermediate Similarity 0.7087 NPC165212
Intermediate Similarity 0.7087 NPC285394
Intermediate Similarity 0.708 NPC146351
Intermediate Similarity 0.708 NPC118343
Intermediate Similarity 0.708 NPC472318
Intermediate Similarity 0.708 NPC98911
Intermediate Similarity 0.7069 NPC209632
Intermediate Similarity 0.7069 NPC269457
Intermediate Similarity 0.7054 NPC325499
Intermediate Similarity 0.7054 NPC270654
Intermediate Similarity 0.7043 NPC301943
Intermediate Similarity 0.7043 NPC474365
Intermediate Similarity 0.7043 NPC234305
Intermediate Similarity 0.704 NPC476183
Intermediate Similarity 0.7037 NPC9822
Intermediate Similarity 0.7034 NPC469636
Intermediate Similarity 0.7027 NPC5472
Intermediate Similarity 0.7019 NPC323103
Intermediate Similarity 0.7018 NPC228400
Intermediate Similarity 0.7018 NPC214200
Intermediate Similarity 0.7009 NPC475203
Intermediate Similarity 0.7009 NPC474376
Intermediate Similarity 0.7009 NPC96625
Intermediate Similarity 0.7009 NPC472315
Intermediate Similarity 0.7009 NPC472316
Intermediate Similarity 0.7008 NPC476278
Intermediate Similarity 0.7 NPC270699
Intermediate Similarity 0.7 NPC82899
Remote Similarity 0.6991 NPC225060
Remote Similarity 0.6991 NPC35448
Remote Similarity 0.6991 NPC78701
Remote Similarity 0.699 NPC121800
Remote Similarity 0.699 NPC328178
Remote Similarity 0.6983 NPC114594
Remote Similarity 0.6983 NPC85977
Remote Similarity 0.6977 NPC124776
Remote Similarity 0.6975 NPC214067
Remote Similarity 0.6975 NPC196246
Remote Similarity 0.6972 NPC84288
Remote Similarity 0.6967 NPC210092
Remote Similarity 0.6957 NPC318154
Remote Similarity 0.6957 NPC473922
Remote Similarity 0.6953 NPC328267
Remote Similarity 0.6953 NPC476260
Remote Similarity 0.6953 NPC476241
Remote Similarity 0.6947 NPC69496
Remote Similarity 0.6942 NPC265002
Remote Similarity 0.6929 NPC160493
Remote Similarity 0.6923 NPC218323
Remote Similarity 0.6923 NPC476198
Remote Similarity 0.6917 NPC1082
Remote Similarity 0.6917 NPC475002
Remote Similarity 0.6917 NPC474157
Remote Similarity 0.6917 NPC305912
Remote Similarity 0.6917 NPC210089
Remote Similarity 0.6917 NPC95126
Remote Similarity 0.6905 NPC473243
Remote Similarity 0.6903 NPC33168
Remote Similarity 0.6903 NPC249912
Remote Similarity 0.6903 NPC276775
Remote Similarity 0.6903 NPC92754
Remote Similarity 0.6899 NPC476179
Remote Similarity 0.6899 NPC476125
Remote Similarity 0.6899 NPC4974
Remote Similarity 0.6893 NPC170484
Remote Similarity 0.6891 NPC17417
Remote Similarity 0.6891 NPC10251
Remote Similarity 0.6891 NPC83628
Remote Similarity 0.6891 NPC269023
Remote Similarity 0.6891 NPC99846
Remote Similarity 0.6891 NPC265407
Remote Similarity 0.6885 NPC307651
Remote Similarity 0.6884 NPC475128
Remote Similarity 0.6875 NPC130398
Remote Similarity 0.687 NPC103605
Remote Similarity 0.687 NPC469481
Remote Similarity 0.687 NPC81092
Remote Similarity 0.6864 NPC136962
Remote Similarity 0.6864 NPC477251
Remote Similarity 0.6864 NPC37622
Remote Similarity 0.6864 NPC191215
Remote Similarity 0.6864 NPC30594
Remote Similarity 0.6864 NPC274089
Remote Similarity 0.686 NPC234376
Remote Similarity 0.686 NPC79496
Remote Similarity 0.6855 NPC242764
Remote Similarity 0.6855 NPC105141
Remote Similarity 0.6842 NPC475954
Remote Similarity 0.6838 NPC269644
Remote Similarity 0.6838 NPC472222
Remote Similarity 0.6838 NPC472221
Remote Similarity 0.6833 NPC93084
Remote Similarity 0.6833 NPC251854
Remote Similarity 0.6825 NPC234956
Remote Similarity 0.6825 NPC43275
Remote Similarity 0.6822 NPC53299
Remote Similarity 0.6818 NPC172128
Remote Similarity 0.6815 NPC474811
Remote Similarity 0.6815 NPC90194
Remote Similarity 0.6815 NPC151706
Remote Similarity 0.6815 NPC79465
Remote Similarity 0.6815 NPC273907
Remote Similarity 0.6815 NPC476102
Remote Similarity 0.6815 NPC474855
Remote Similarity 0.6815 NPC118099
Remote Similarity 0.6815 NPC474787
Remote Similarity 0.6815 NPC475318
Remote Similarity 0.6815 NPC49577
Remote Similarity 0.6815 NPC475598
Remote Similarity 0.6815 NPC9687
Remote Similarity 0.6815 NPC293377
Remote Similarity 0.6815 NPC260045
Remote Similarity 0.6815 NPC76785
Remote Similarity 0.6814 NPC3371
Remote Similarity 0.6807 NPC56493
Remote Similarity 0.6803 NPC280760
Remote Similarity 0.6792 NPC208183
Remote Similarity 0.6792 NPC243289
Remote Similarity 0.6791 NPC233910
Remote Similarity 0.6791 NPC245836
Remote Similarity 0.678 NPC473855
Remote Similarity 0.678 NPC211551
Remote Similarity 0.6777 NPC63345
Remote Similarity 0.6777 NPC323007
Remote Similarity 0.6777 NPC183700
Remote Similarity 0.6777 NPC133308
Remote Similarity 0.6774 NPC473507
Remote Similarity 0.6774 NPC51345
Remote Similarity 0.6772 NPC232958
Remote Similarity 0.6772 NPC263835
Remote Similarity 0.6772 NPC190663
Remote Similarity 0.6772 NPC80150
Remote Similarity 0.6769 NPC474847
Remote Similarity 0.6762 NPC133050
Remote Similarity 0.6759 NPC474211
Remote Similarity 0.675 NPC281604
Remote Similarity 0.675 NPC182549
Remote Similarity 0.675 NPC206341
Remote Similarity 0.675 NPC114741
Remote Similarity 0.6748 NPC153053
Remote Similarity 0.6744 NPC471314
Remote Similarity 0.6744 NPC471315
Remote Similarity 0.6741 NPC90693
Remote Similarity 0.6741 NPC64897
Remote Similarity 0.6741 NPC266425
Remote Similarity 0.6738 NPC260194
Remote Similarity 0.6738 NPC475578
Remote Similarity 0.6738 NPC328824
Remote Similarity 0.6724 NPC289381
Remote Similarity 0.6724 NPC155847
Remote Similarity 0.6724 NPC70624
Remote Similarity 0.6723 NPC119271
Remote Similarity 0.6723 NPC326447
Remote Similarity 0.6721 NPC158282
Remote Similarity 0.6719 NPC50872
Remote Similarity 0.6718 NPC470765
Remote Similarity 0.6716 NPC246079
Remote Similarity 0.6715 NPC231884
Remote Similarity 0.6715 NPC316906

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  339.22
ALogP  0.3941
MLogP  3.55
XLogP  7.629
HDA  3
HBD  0
Rotatable Bonds  13
TPSA  29.54
RO5 Violation  1