Drug Information

Drug ID:  NPD5306
Drug Name:  Oxybutynin
Molecular Formula:  C22H31NO3
Canonical SMILES:  CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC
Standard InCHI:  InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3
Standard InCHIKey:  XIQVNETUBQGFHX-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD5306

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 0.84 NPC65310
Intermediate Similarity 0.8158 NPC160382
Intermediate Similarity 0.7807 NPC210529
Intermediate Similarity 0.7807 NPC175852
Intermediate Similarity 0.7807 NPC160548
Intermediate Similarity 0.7744 NPC313663
Intermediate Similarity 0.7674 NPC471466
Intermediate Similarity 0.7656 NPC291027
Intermediate Similarity 0.7656 NPC317474
Intermediate Similarity 0.7656 NPC84281
Intermediate Similarity 0.7656 NPC213126
Intermediate Similarity 0.7656 NPC169485
Intermediate Similarity 0.7603 NPC158854
Intermediate Similarity 0.76 NPC212891
Intermediate Similarity 0.748 NPC158282
Intermediate Similarity 0.7405 NPC14141
Intermediate Similarity 0.7405 NPC285394
Intermediate Similarity 0.7402 NPC45794
Intermediate Similarity 0.7398 NPC476003
Intermediate Similarity 0.7398 NPC95126
Intermediate Similarity 0.7398 NPC475002
Intermediate Similarity 0.7377 NPC281604
Intermediate Similarity 0.7348 NPC474847
Intermediate Similarity 0.7328 NPC108286
Intermediate Similarity 0.7308 NPC476184
Intermediate Similarity 0.7308 NPC476281
Intermediate Similarity 0.7302 NPC469509
Intermediate Similarity 0.7302 NPC221275
Intermediate Similarity 0.7295 NPC156648
Intermediate Similarity 0.7281 NPC317645
Intermediate Similarity 0.728 NPC48525
Intermediate Similarity 0.728 NPC128368
Intermediate Similarity 0.7266 NPC325295
Intermediate Similarity 0.7266 NPC76308
Intermediate Similarity 0.7259 NPC69496
Intermediate Similarity 0.7257 NPC9822
Intermediate Similarity 0.7246 NPC475318
Intermediate Similarity 0.7246 NPC476102
Intermediate Similarity 0.7246 NPC474855
Intermediate Similarity 0.7246 NPC151706
Intermediate Similarity 0.7246 NPC293377
Intermediate Similarity 0.7246 NPC49577
Intermediate Similarity 0.7246 NPC76785
Intermediate Similarity 0.7246 NPC260045
Intermediate Similarity 0.7246 NPC475598
Intermediate Similarity 0.7246 NPC118099
Intermediate Similarity 0.7246 NPC474811
Intermediate Similarity 0.7246 NPC90194
Intermediate Similarity 0.7246 NPC474787
Intermediate Similarity 0.7246 NPC9687
Intermediate Similarity 0.7246 NPC273907
Intermediate Similarity 0.7246 NPC79465
Intermediate Similarity 0.7236 NPC31274
Intermediate Similarity 0.7232 NPC322387
Intermediate Similarity 0.7231 NPC280827
Intermediate Similarity 0.7231 NPC190663
Intermediate Similarity 0.7231 NPC80150
Intermediate Similarity 0.7231 NPC476183
Intermediate Similarity 0.7231 NPC243059
Intermediate Similarity 0.7222 NPC153053
Intermediate Similarity 0.7218 NPC4974
Intermediate Similarity 0.7213 NPC136962
Intermediate Similarity 0.7197 NPC476278
Intermediate Similarity 0.7193 NPC274455
Intermediate Similarity 0.7193 NPC86670
Intermediate Similarity 0.7193 NPC70940
Intermediate Similarity 0.719 NPC19136
Intermediate Similarity 0.719 NPC249067
Intermediate Similarity 0.7188 NPC242764
Intermediate Similarity 0.7188 NPC105141
Intermediate Similarity 0.7185 NPC472707
Intermediate Similarity 0.7177 NPC292758
Intermediate Similarity 0.7177 NPC65855
Intermediate Similarity 0.7167 NPC304873
Intermediate Similarity 0.7165 NPC210092
Intermediate Similarity 0.7165 NPC186933
Intermediate Similarity 0.7153 NPC45191
Intermediate Similarity 0.7143 NPC476260
Intermediate Similarity 0.7143 NPC476241
Intermediate Similarity 0.7132 NPC217431
Intermediate Similarity 0.7131 NPC269457
Intermediate Similarity 0.7131 NPC105899
Intermediate Similarity 0.7121 NPC26285
Intermediate Similarity 0.7121 NPC160493
Intermediate Similarity 0.7107 NPC255676
Intermediate Similarity 0.7101 NPC233910
Intermediate Similarity 0.7101 NPC245836
Intermediate Similarity 0.7099 NPC473243
Intermediate Similarity 0.7097 NPC475282
Intermediate Similarity 0.709 NPC476179
Intermediate Similarity 0.709 NPC57607
Intermediate Similarity 0.709 NPC295664
Intermediate Similarity 0.709 NPC476125
Intermediate Similarity 0.7087 NPC172525
Intermediate Similarity 0.7087 NPC474363
Intermediate Similarity 0.7083 NPC469481
Intermediate Similarity 0.7083 NPC316797
Intermediate Similarity 0.7073 NPC472316
Intermediate Similarity 0.7073 NPC475203
Intermediate Similarity 0.7073 NPC474376
Intermediate Similarity 0.7073 NPC472315
Intermediate Similarity 0.7068 NPC469927
Intermediate Similarity 0.7063 NPC66208
Intermediate Similarity 0.7063 NPC471188
Intermediate Similarity 0.7063 NPC321852
Intermediate Similarity 0.7063 NPC234376
Intermediate Similarity 0.7059 NPC213969
Intermediate Similarity 0.7059 NPC115797
Intermediate Similarity 0.7059 NPC229242
Intermediate Similarity 0.7059 NPC51448
Intermediate Similarity 0.7059 NPC165726
Intermediate Similarity 0.7054 NPC294134
Intermediate Similarity 0.7049 NPC280616
Intermediate Similarity 0.7049 NPC171831
Intermediate Similarity 0.7049 NPC242913
Intermediate Similarity 0.704 NPC326187
Intermediate Similarity 0.7037 NPC470765
Intermediate Similarity 0.7037 NPC275576
Intermediate Similarity 0.7031 NPC474685
Intermediate Similarity 0.7031 NPC93181
Intermediate Similarity 0.7025 NPC25458
Intermediate Similarity 0.7023 NPC204784
Intermediate Similarity 0.7023 NPC160235
Intermediate Similarity 0.7015 NPC85511
Intermediate Similarity 0.7015 NPC138798
Intermediate Similarity 0.7015 NPC236981
Intermediate Similarity 0.7008 NPC272524
Intermediate Similarity 0.7008 NPC265002
Intermediate Similarity 0.7 NPC146351
Intermediate Similarity 0.7 NPC217621
Intermediate Similarity 0.7 NPC325497
Remote Similarity 0.6992 NPC293831
Remote Similarity 0.6992 NPC369
Remote Similarity 0.6985 NPC210950
Remote Similarity 0.6985 NPC169913
Remote Similarity 0.6985 NPC470753
Remote Similarity 0.6985 NPC473220
Remote Similarity 0.6985 NPC199738
Remote Similarity 0.6984 NPC133308
Remote Similarity 0.6984 NPC260818
Remote Similarity 0.6978 NPC233692
Remote Similarity 0.6978 NPC108553
Remote Similarity 0.6977 NPC210531
Remote Similarity 0.6975 NPC270654
Remote Similarity 0.6975 NPC289201
Remote Similarity 0.697 NPC133389
Remote Similarity 0.697 NPC234337
Remote Similarity 0.697 NPC183339
Remote Similarity 0.6967 NPC329556
Remote Similarity 0.6967 NPC301943
Remote Similarity 0.6967 NPC474365
Remote Similarity 0.6963 NPC246166
Remote Similarity 0.6963 NPC317163
Remote Similarity 0.696 NPC469511
Remote Similarity 0.696 NPC469636
Remote Similarity 0.6957 NPC220893
Remote Similarity 0.695 NPC472247
Remote Similarity 0.695 NPC477896
Remote Similarity 0.6949 NPC206764
Remote Similarity 0.6947 NPC311091
Remote Similarity 0.6947 NPC471033
Remote Similarity 0.6947 NPC254233
Remote Similarity 0.6942 NPC42211
Remote Similarity 0.6942 NPC158623
Remote Similarity 0.6942 NPC225079
Remote Similarity 0.6935 NPC94751
Remote Similarity 0.6935 NPC193640
Remote Similarity 0.6935 NPC37115
Remote Similarity 0.6935 NPC475905
Remote Similarity 0.6935 NPC142326
Remote Similarity 0.6935 NPC25385
Remote Similarity 0.6934 NPC296712
Remote Similarity 0.6929 NPC82899
Remote Similarity 0.6929 NPC474314
Remote Similarity 0.6929 NPC270699
Remote Similarity 0.6923 NPC473301
Remote Similarity 0.6923 NPC128249
Remote Similarity 0.6917 NPC225060
Remote Similarity 0.6917 NPC271475
Remote Similarity 0.6917 NPC35448
Remote Similarity 0.6917 NPC78701
Remote Similarity 0.6912 NPC79608
Remote Similarity 0.6912 NPC137416
Remote Similarity 0.6906 NPC275538
Remote Similarity 0.6905 NPC214067
Remote Similarity 0.6905 NPC174099
Remote Similarity 0.6905 NPC196246
Remote Similarity 0.6903 NPC95965
Remote Similarity 0.6901 NPC472545
Remote Similarity 0.6901 NPC472551
Remote Similarity 0.6901 NPC281104
Remote Similarity 0.6899 NPC306740
Remote Similarity 0.6899 NPC217111
Remote Similarity 0.6897 NPC472546
Remote Similarity 0.6897 NPC84288
Remote Similarity 0.6894 NPC472708
Remote Similarity 0.6889 NPC473938
Remote Similarity 0.6885 NPC318154
Remote Similarity 0.6884 NPC301857
Remote Similarity 0.688 NPC249811

Drug Structure

External Identifiers

TTD   DIB009673; DIB012958; DAP001128
DrugBank   DB01062
ChEMBL   CHEMBL1231
IUPHAR/BPS   359
PharmaGKB   PA164746030
KEGG Drug   D00465
PubChem CID  
ChEBI   7856
CAS Number  5633-20-5

Drug Properties

Molecular Weight  357.23
ALogP  -0.163
MLogP  3.44
XLogP  5.374
HDA  4
HBD  1
Rotatable Bonds  11
TPSA  49.77
RO5 Violation  1