Drug Information

Drug ID:  NPD3726
Drug Name:  Dicyclomine
Molecular Formula:  C19H35NO2
Canonical SMILES:  CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC
Standard InCHI:  InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3
Standard InCHIKey:  CURUTKGFNZGFSE-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD3726

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 0.7042 NPC306750
Remote Similarity 0.6842 NPC178541
Remote Similarity 0.6757 NPC326651
Remote Similarity 0.6757 NPC325117
Remote Similarity 0.6757 NPC322319
Remote Similarity 0.6707 NPC474702
Remote Similarity 0.6667 NPC469940
Remote Similarity 0.6667 NPC478227
Remote Similarity 0.6623 NPC295788
Remote Similarity 0.6582 NPC475230
Remote Similarity 0.6579 NPC41542
Remote Similarity 0.6538 NPC477929
Remote Similarity 0.6506 NPC216090
Remote Similarity 0.6462 NPC249754
Remote Similarity 0.6447 NPC84562
Remote Similarity 0.642 NPC477934
Remote Similarity 0.642 NPC179858
Remote Similarity 0.6418 NPC305182
Remote Similarity 0.641 NPC319671
Remote Similarity 0.641 NPC476734
Remote Similarity 0.641 NPC469941
Remote Similarity 0.641 NPC252032
Remote Similarity 0.6375 NPC109510
Remote Similarity 0.6375 NPC208657
Remote Similarity 0.6341 NPC476601
Remote Similarity 0.6341 NPC471046
Remote Similarity 0.6341 NPC477932
Remote Similarity 0.6341 NPC477933
Remote Similarity 0.6341 NPC330017
Remote Similarity 0.6329 NPC91369
Remote Similarity 0.6316 NPC230047
Remote Similarity 0.6316 NPC19311
Remote Similarity 0.6308 NPC308301
Remote Similarity 0.6296 NPC55508
Remote Similarity 0.6282 NPC224700
Remote Similarity 0.6282 NPC320663
Remote Similarity 0.6265 NPC471151
Remote Similarity 0.6265 NPC477918
Remote Similarity 0.625 NPC197701
Remote Similarity 0.625 NPC72343
Remote Similarity 0.6238 NPC218602
Remote Similarity 0.6234 NPC42060
Remote Similarity 0.6222 NPC322966
Remote Similarity 0.6216 NPC478126
Remote Similarity 0.6216 NPC302188
Remote Similarity 0.6216 NPC204173
Remote Similarity 0.6203 NPC64466
Remote Similarity 0.619 NPC31031
Remote Similarity 0.619 NPC243594
Remote Similarity 0.6173 NPC279241
Remote Similarity 0.6173 NPC474755
Remote Similarity 0.6129 NPC469998
Remote Similarity 0.6125 NPC114640
Remote Similarity 0.6125 NPC126366
Remote Similarity 0.6125 NPC33267
Remote Similarity 0.6125 NPC477850
Remote Similarity 0.6125 NPC170963
Remote Similarity 0.6125 NPC324165
Remote Similarity 0.6125 NPC169976
Remote Similarity 0.6122 NPC287638
Remote Similarity 0.6122 NPC194750
Remote Similarity 0.6122 NPC233274
Remote Similarity 0.6119 NPC324793
Remote Similarity 0.6119 NPC477878
Remote Similarity 0.6118 NPC73013
Remote Similarity 0.6118 NPC471475
Remote Similarity 0.6105 NPC471843
Remote Similarity 0.6104 NPC306805
Remote Similarity 0.6104 NPC215987
Remote Similarity 0.6104 NPC469791
Remote Similarity 0.6098 NPC477930
Remote Similarity 0.6098 NPC167702
Remote Similarity 0.6098 NPC166797
Remote Similarity 0.6098 NPC96759
Remote Similarity 0.6098 NPC280026
Remote Similarity 0.6094 NPC203531
Remote Similarity 0.6094 NPC236579
Remote Similarity 0.6092 NPC47135
Remote Similarity 0.6087 NPC314084
Remote Similarity 0.6087 NPC312637
Remote Similarity 0.6081 NPC472020
Remote Similarity 0.6081 NPC226602
Remote Similarity 0.6081 NPC472019
Remote Similarity 0.6076 NPC469724
Remote Similarity 0.6076 NPC100917
Remote Similarity 0.6076 NPC31187
Remote Similarity 0.6076 NPC290445
Remote Similarity 0.6076 NPC281203
Remote Similarity 0.6076 NPC36616
Remote Similarity 0.6071 NPC477145
Remote Similarity 0.6071 NPC473741
Remote Similarity 0.6071 NPC474404
Remote Similarity 0.6049 NPC54460
Remote Similarity 0.6047 NPC170038
Remote Similarity 0.6047 NPC472853
Remote Similarity 0.6047 NPC261616
Remote Similarity 0.6026 NPC477931
Remote Similarity 0.6026 NPC268736
Remote Similarity 0.6024 NPC212733
Remote Similarity 0.602 NPC474348
Remote Similarity 0.6 NPC4827
Remote Similarity 0.6 NPC472021
Remote Similarity 0.6 NPC476732
Remote Similarity 0.6 NPC199965
Remote Similarity 0.6 NPC474962
Remote Similarity 0.5979 NPC220111
Remote Similarity 0.5977 NPC280781
Remote Similarity 0.5977 NPC48756
Remote Similarity 0.5977 NPC229584
Remote Similarity 0.5977 NPC474870
Remote Similarity 0.5977 NPC474955
Remote Similarity 0.5977 NPC58631
Remote Similarity 0.5977 NPC271572
Remote Similarity 0.5977 NPC14203
Remote Similarity 0.5976 NPC474123
Remote Similarity 0.5976 NPC43219
Remote Similarity 0.5976 NPC248567
Remote Similarity 0.597 NPC21844
Remote Similarity 0.5952 NPC4209
Remote Similarity 0.5952 NPC476985
Remote Similarity 0.5952 NPC474020
Remote Similarity 0.5952 NPC92489
Remote Similarity 0.5952 NPC474316
Remote Similarity 0.5952 NPC475744
Remote Similarity 0.5949 NPC476928
Remote Similarity 0.5949 NPC474221
Remote Similarity 0.5949 NPC469868
Remote Similarity 0.5949 NPC130459
Remote Similarity 0.5949 NPC478180
Remote Similarity 0.5949 NPC472984
Remote Similarity 0.5943 NPC145501
Remote Similarity 0.593 NPC327674
Remote Similarity 0.593 NPC80891
Remote Similarity 0.593 NPC118987
Remote Similarity 0.593 NPC474754
Remote Similarity 0.593 NPC201276
Remote Similarity 0.5926 NPC108131
Remote Similarity 0.5915 NPC72722
Remote Similarity 0.5914 NPC476019
Remote Similarity 0.5909 NPC100366
Remote Similarity 0.5909 NPC61107
Remote Similarity 0.5909 NPC47363
Remote Similarity 0.5909 NPC164289
Remote Similarity 0.5909 NPC102156
Remote Similarity 0.5909 NPC148740
Remote Similarity 0.5909 NPC287231
Remote Similarity 0.5909 NPC477935
Remote Similarity 0.5909 NPC289486
Remote Similarity 0.5909 NPC242771
Remote Similarity 0.5909 NPC311642
Remote Similarity 0.5909 NPC477936
Remote Similarity 0.5909 NPC13494
Remote Similarity 0.5904 NPC86064
Remote Similarity 0.5897 NPC157518
Remote Similarity 0.5897 NPC476330
Remote Similarity 0.5882 NPC477919
Remote Similarity 0.5882 NPC143133
Remote Similarity 0.5882 NPC298168
Remote Similarity 0.5882 NPC143250
Remote Similarity 0.5882 NPC317913
Remote Similarity 0.5882 NPC207010
Remote Similarity 0.5882 NPC180199
Remote Similarity 0.5882 NPC307865
Remote Similarity 0.5875 NPC180777
Remote Similarity 0.5875 NPC470956
Remote Similarity 0.5875 NPC474954
Remote Similarity 0.5875 NPC478228
Remote Similarity 0.5875 NPC103647
Remote Similarity 0.5875 NPC260319
Remote Similarity 0.5875 NPC2568
Remote Similarity 0.5867 NPC470363
Remote Similarity 0.5862 NPC1882
Remote Similarity 0.5862 NPC134227
Remote Similarity 0.5862 NPC476265
Remote Similarity 0.5862 NPC474956
Remote Similarity 0.5862 NPC125366
Remote Similarity 0.5862 NPC274522
Remote Similarity 0.5857 NPC291724
Remote Similarity 0.5857 NPC274261
Remote Similarity 0.5844 NPC235788
Remote Similarity 0.5843 NPC170862
Remote Similarity 0.5843 NPC323180
Remote Similarity 0.5843 NPC15821
Remote Similarity 0.5843 NPC471037
Remote Similarity 0.5833 NPC319589
Remote Similarity 0.5833 NPC472311
Remote Similarity 0.5821 NPC314679
Remote Similarity 0.5821 NPC282440
Remote Similarity 0.5814 NPC472608
Remote Similarity 0.5814 NPC329117
Remote Similarity 0.5814 NPC324700
Remote Similarity 0.5814 NPC473984
Remote Similarity 0.5814 NPC224802
Remote Similarity 0.5814 NPC80089
Remote Similarity 0.5814 NPC34046
Remote Similarity 0.5814 NPC63020
Remote Similarity 0.5814 NPC239098
Remote Similarity 0.5814 NPC26029
Remote Similarity 0.5814 NPC185465
Remote Similarity 0.5814 NPC171426

Drug Structure

External Identifiers

TTD   DAP001118
DrugBank   DB00804
ChEMBL   CHEMBL1123
IUPHAR/BPS   355
PharmaGKB   PA164744928
KEGG Drug  
PubChem CID   3042
ChEBI   4514
CAS Number  77-19-0

Drug Properties

Molecular Weight  309.27
ALogP  -1.1172
MLogP  3.22
XLogP  5.498
HDA  3
HBD  0
Rotatable Bonds  10
TPSA  29.54
RO5 Violation  1