Drug Information

Drug ID:  NPD2611
Drug Name:  Hyoscyamine
Molecular Formula:  C17H23NO3
Canonical SMILES:  OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C
Standard InCHI:  InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16-/m1/s1
Standard InCHIKey:  RKUNBYITZUJHSG-FXUDXRNXSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2611

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 NPC213126
High Similarity 1.0 NPC317474
High Similarity 1.0 NPC291027
High Similarity 1.0 NPC84281
High Similarity 1.0 NPC169485
High Similarity 0.9421 NPC69496
High Similarity 0.9194 NPC245836
High Similarity 0.9194 NPC233910
High Similarity 0.878 NPC474847
High Similarity 0.871 NPC65310
Intermediate Similarity 0.822 NPC158854
Intermediate Similarity 0.8195 NPC281104
Intermediate Similarity 0.8095 NPC26285
Intermediate Similarity 0.7829 NPC285394
Intermediate Similarity 0.7795 NPC80150
Intermediate Similarity 0.768 NPC188010
Intermediate Similarity 0.7647 NPC19136
Intermediate Similarity 0.763 NPC313663
Intermediate Similarity 0.7623 NPC65855
Intermediate Similarity 0.7623 NPC292758
Intermediate Similarity 0.7519 NPC478016
Intermediate Similarity 0.7519 NPC478014
Intermediate Similarity 0.7519 NPC190663
Intermediate Similarity 0.7519 NPC478015
Intermediate Similarity 0.7518 NPC260045
Intermediate Similarity 0.7518 NPC475318
Intermediate Similarity 0.7518 NPC49577
Intermediate Similarity 0.7518 NPC90194
Intermediate Similarity 0.7518 NPC474855
Intermediate Similarity 0.7518 NPC474811
Intermediate Similarity 0.7518 NPC476102
Intermediate Similarity 0.7518 NPC9687
Intermediate Similarity 0.7518 NPC151706
Intermediate Similarity 0.7518 NPC79465
Intermediate Similarity 0.7518 NPC273907
Intermediate Similarity 0.7518 NPC475598
Intermediate Similarity 0.7518 NPC293377
Intermediate Similarity 0.7518 NPC118099
Intermediate Similarity 0.7518 NPC76785
Intermediate Similarity 0.7518 NPC474787
Intermediate Similarity 0.75 NPC310467
Intermediate Similarity 0.7448 NPC162104
Intermediate Similarity 0.7422 NPC169328
Intermediate Similarity 0.7413 NPC145113
Intermediate Similarity 0.7405 NPC160493
Intermediate Similarity 0.7376 NPC57976
Intermediate Similarity 0.7376 NPC161069
Intermediate Similarity 0.7368 NPC47667
Intermediate Similarity 0.7347 NPC68967
Intermediate Similarity 0.7333 NPC103605
Intermediate Similarity 0.7333 NPC81092
Intermediate Similarity 0.7324 NPC471516
Intermediate Similarity 0.7324 NPC476978
Intermediate Similarity 0.7305 NPC263493
Intermediate Similarity 0.7305 NPC269398
Intermediate Similarity 0.7292 NPC225648
Intermediate Similarity 0.7292 NPC329761
Intermediate Similarity 0.7252 NPC477061
Intermediate Similarity 0.7252 NPC45777
Intermediate Similarity 0.7236 NPC329705
Intermediate Similarity 0.7236 NPC474111
Intermediate Similarity 0.7227 NPC322598
Intermediate Similarity 0.7227 NPC271475
Intermediate Similarity 0.7172 NPC138775
Intermediate Similarity 0.7154 NPC476198
Intermediate Similarity 0.7153 NPC209509
Intermediate Similarity 0.7153 NPC5620
Intermediate Similarity 0.7143 NPC477767
Intermediate Similarity 0.7113 NPC163392
Intermediate Similarity 0.7113 NPC239762
Intermediate Similarity 0.7105 NPC322387
Intermediate Similarity 0.7092 NPC478140
Intermediate Similarity 0.7092 NPC471265
Intermediate Similarity 0.7092 NPC471264
Intermediate Similarity 0.709 NPC35996
Intermediate Similarity 0.7069 NPC86670
Intermediate Similarity 0.7069 NPC274455
Intermediate Similarity 0.7069 NPC70940
Intermediate Similarity 0.7044 NPC476441
Intermediate Similarity 0.7042 NPC92784
Intermediate Similarity 0.7042 NPC476133
Intermediate Similarity 0.7042 NPC178662
Intermediate Similarity 0.7042 NPC470884
Intermediate Similarity 0.7042 NPC98424
Intermediate Similarity 0.7025 NPC12730
Intermediate Similarity 0.7016 NPC67043
Intermediate Similarity 0.7016 NPC321670
Intermediate Similarity 0.7016 NPC167336
Intermediate Similarity 0.7014 NPC251439
Intermediate Similarity 0.7009 NPC141607
Intermediate Similarity 0.7009 NPC187725
Intermediate Similarity 0.7007 NPC105114
Intermediate Similarity 0.7007 NPC71933
Intermediate Similarity 0.7007 NPC239990
Intermediate Similarity 0.7007 NPC89923
Intermediate Similarity 0.7007 NPC152850
Remote Similarity 0.6993 NPC46098
Remote Similarity 0.6993 NPC268841
Remote Similarity 0.6993 NPC307357
Remote Similarity 0.6985 NPC317163
Remote Similarity 0.6983 NPC9822
Remote Similarity 0.6974 NPC29285
Remote Similarity 0.6972 NPC127741
Remote Similarity 0.697 NPC237420
Remote Similarity 0.697 NPC314992
Remote Similarity 0.6967 NPC214200
Remote Similarity 0.6967 NPC228400
Remote Similarity 0.6963 NPC175726
Remote Similarity 0.6963 NPC474082
Remote Similarity 0.6963 NPC108286
Remote Similarity 0.6963 NPC6975
Remote Similarity 0.6959 NPC94602
Remote Similarity 0.6959 NPC129666
Remote Similarity 0.6959 NPC2501
Remote Similarity 0.6957 NPC213969
Remote Similarity 0.6957 NPC165726
Remote Similarity 0.6957 NPC116057
Remote Similarity 0.695 NPC248283
Remote Similarity 0.6934 NPC136453
Remote Similarity 0.6933 NPC122590
Remote Similarity 0.693 NPC294134
Remote Similarity 0.6929 NPC246913
Remote Similarity 0.6928 NPC153694
Remote Similarity 0.6928 NPC211525
Remote Similarity 0.6923 NPC84288
Remote Similarity 0.6911 NPC474820
Remote Similarity 0.6911 NPC475978
Remote Similarity 0.6905 NPC20485
Remote Similarity 0.6897 NPC139326
Remote Similarity 0.6889 NPC252878
Remote Similarity 0.6884 NPC319766
Remote Similarity 0.6884 NPC305717
Remote Similarity 0.6883 NPC133817
Remote Similarity 0.6883 NPC263709
Remote Similarity 0.6883 NPC310403
Remote Similarity 0.6883 NPC97380
Remote Similarity 0.6883 NPC243673
Remote Similarity 0.6883 NPC148468
Remote Similarity 0.6883 NPC476443
Remote Similarity 0.6883 NPC63210
Remote Similarity 0.6879 NPC287401
Remote Similarity 0.6871 NPC314358
Remote Similarity 0.6864 NPC317645
Remote Similarity 0.6863 NPC297145
Remote Similarity 0.6863 NPC197743
Remote Similarity 0.6861 NPC4974
Remote Similarity 0.6861 NPC477249
Remote Similarity 0.6861 NPC477248
Remote Similarity 0.686 NPC293628
Remote Similarity 0.686 NPC122493
Remote Similarity 0.686 NPC10781
Remote Similarity 0.686 NPC324569
Remote Similarity 0.6857 NPC157311
Remote Similarity 0.6855 NPC160382
Remote Similarity 0.6846 NPC172525
Remote Similarity 0.6838 NPC46427
Remote Similarity 0.6838 NPC231591
Remote Similarity 0.6835 NPC469666
Remote Similarity 0.6835 NPC472413
Remote Similarity 0.6833 NPC206764
Remote Similarity 0.6831 NPC477680
Remote Similarity 0.6829 NPC94487
Remote Similarity 0.6828 NPC150712
Remote Similarity 0.6825 NPC475905
Remote Similarity 0.6825 NPC142326
Remote Similarity 0.6825 NPC193640
Remote Similarity 0.6825 NPC94751
Remote Similarity 0.6825 NPC25385
Remote Similarity 0.6824 NPC135121
Remote Similarity 0.6822 NPC269340
Remote Similarity 0.6818 NPC2265
Remote Similarity 0.6815 NPC52059
Remote Similarity 0.6815 NPC202521
Remote Similarity 0.6815 NPC472106
Remote Similarity 0.6815 NPC470069
Remote Similarity 0.6813 NPC476425
Remote Similarity 0.6809 NPC8761
Remote Similarity 0.6809 NPC44805
Remote Similarity 0.6803 NPC313867
Remote Similarity 0.6803 NPC316008
Remote Similarity 0.6795 NPC476750
Remote Similarity 0.6794 NPC33742
Remote Similarity 0.6788 NPC138798
Remote Similarity 0.6788 NPC236981
Remote Similarity 0.6788 NPC307020
Remote Similarity 0.6781 NPC176226
Remote Similarity 0.6779 NPC240848
Remote Similarity 0.6774 NPC474112
Remote Similarity 0.6769 NPC273814
Remote Similarity 0.6769 NPC474584
Remote Similarity 0.6759 NPC476259
Remote Similarity 0.6757 NPC297322
Remote Similarity 0.6757 NPC262077
Remote Similarity 0.6754 NPC270507
Remote Similarity 0.6754 NPC285773
Remote Similarity 0.6754 NPC288903
Remote Similarity 0.6754 NPC44830
Remote Similarity 0.6752 NPC329064
Remote Similarity 0.6748 NPC476042
Remote Similarity 0.6746 NPC474307

Drug Structure

External Identifiers

TTD   DNC000758
DrugBank   DB00424
ChEMBL   CHEMBL1331216
IUPHAR/BPS  
PharmaGKB   PA164776844
KEGG Drug   D00147
PubChem CID  
ChEBI   17486
CAS Number  101-31-5

Drug Properties

Molecular Weight  289.17
ALogP  -1.8722
MLogP  2.89
XLogP  3.538
HDA  4
HBD  1
Rotatable Bonds  7
TPSA  49.77
RO5 Violation  0