Drug Information

Drug ID:  NPD2628
Drug Name:  Methylhomatropine
Molecular Formula:  C17H24NO3
Canonical SMILES:  OC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C
Standard InCHI:  InChI=1S/C17H24NO3/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12/h3-7,13-16,19H,8-11H2,1-2H3/q+1/t13-,14+,15+,16?
Standard InCHIKey:  WKWOJBUWWZTUQV-SPUOUPEWSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2628

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 NPC65310
High Similarity 0.88 NPC474847
High Similarity 0.871 NPC291027
High Similarity 0.871 NPC317474
High Similarity 0.871 NPC84281
High Similarity 0.871 NPC213126
High Similarity 0.871 NPC169485
Intermediate Similarity 0.8413 NPC26285
Intermediate Similarity 0.8244 NPC69496
Intermediate Similarity 0.814 NPC285394
Intermediate Similarity 0.806 NPC233910
Intermediate Similarity 0.806 NPC245836
Intermediate Similarity 0.8051 NPC160382
Intermediate Similarity 0.7951 NPC292758
Intermediate Similarity 0.7951 NPC65855
Intermediate Similarity 0.7826 NPC281104
Intermediate Similarity 0.781 NPC475318
Intermediate Similarity 0.781 NPC475598
Intermediate Similarity 0.781 NPC79465
Intermediate Similarity 0.781 NPC76785
Intermediate Similarity 0.781 NPC474787
Intermediate Similarity 0.781 NPC474855
Intermediate Similarity 0.781 NPC151706
Intermediate Similarity 0.781 NPC260045
Intermediate Similarity 0.781 NPC474811
Intermediate Similarity 0.781 NPC90194
Intermediate Similarity 0.781 NPC9687
Intermediate Similarity 0.781 NPC273907
Intermediate Similarity 0.781 NPC49577
Intermediate Similarity 0.781 NPC118099
Intermediate Similarity 0.781 NPC476102
Intermediate Similarity 0.781 NPC293377
Intermediate Similarity 0.7712 NPC210529
Intermediate Similarity 0.7712 NPC160548
Intermediate Similarity 0.7712 NPC175852
Intermediate Similarity 0.7664 NPC313663
Intermediate Similarity 0.7661 NPC158854
Intermediate Similarity 0.7535 NPC251439
Intermediate Similarity 0.7438 NPC214200
Intermediate Similarity 0.7438 NPC228400
Intermediate Similarity 0.7424 NPC190663
Intermediate Similarity 0.7313 NPC160493
Intermediate Similarity 0.7308 NPC35345
Intermediate Similarity 0.7279 NPC4974
Intermediate Similarity 0.7266 NPC158282
Intermediate Similarity 0.7248 NPC162104
Intermediate Similarity 0.7246 NPC165726
Intermediate Similarity 0.7246 NPC213969
Intermediate Similarity 0.7246 NPC469666
Intermediate Similarity 0.7214 NPC45191
Intermediate Similarity 0.7211 NPC145113
Intermediate Similarity 0.7206 NPC471466
Intermediate Similarity 0.7203 NPC317645
Intermediate Similarity 0.7174 NPC305717
Intermediate Similarity 0.7164 NPC476183
Intermediate Similarity 0.7164 NPC80150
Intermediate Similarity 0.7153 NPC57607
Intermediate Similarity 0.7152 NPC68967
Intermediate Similarity 0.7132 NPC269340
Intermediate Similarity 0.7123 NPC204546
Intermediate Similarity 0.712 NPC19136
Intermediate Similarity 0.7111 NPC476281
Intermediate Similarity 0.7111 NPC476184
Intermediate Similarity 0.7103 NPC269398
Intermediate Similarity 0.7103 NPC263493
Intermediate Similarity 0.7077 NPC48525
Intermediate Similarity 0.7075 NPC209509
Intermediate Similarity 0.7054 NPC476003
Intermediate Similarity 0.705 NPC210950
Intermediate Similarity 0.705 NPC199738
Intermediate Similarity 0.7045 NPC210531
Intermediate Similarity 0.7031 NPC281604
Intermediate Similarity 0.7023 NPC172525
Intermediate Similarity 0.7023 NPC474363
Intermediate Similarity 0.7015 NPC237420
Intermediate Similarity 0.7014 NPC471265
Intermediate Similarity 0.7014 NPC471264
Intermediate Similarity 0.7014 NPC127741
Intermediate Similarity 0.7014 NPC6570
Intermediate Similarity 0.7008 NPC136962
Intermediate Similarity 0.7007 NPC469927
Intermediate Similarity 0.7007 NPC35996
Intermediate Similarity 0.7007 NPC476278
Intermediate Similarity 0.7 NPC89831
Intermediate Similarity 0.7 NPC81092
Intermediate Similarity 0.7 NPC103605
Intermediate Similarity 0.7 NPC474314
Remote Similarity 0.6992 NPC322598
Remote Similarity 0.6985 NPC56634
Remote Similarity 0.6984 NPC147000
Remote Similarity 0.6984 NPC150254
Remote Similarity 0.6984 NPC226778
Remote Similarity 0.6984 NPC304761
Remote Similarity 0.698 NPC225648
Remote Similarity 0.698 NPC329761
Remote Similarity 0.6978 NPC136453
Remote Similarity 0.6977 NPC326187
Remote Similarity 0.6975 NPC129624
Remote Similarity 0.6972 NPC257390
Remote Similarity 0.697 NPC469509
Remote Similarity 0.6966 NPC178662
Remote Similarity 0.6966 NPC476133
Remote Similarity 0.6966 NPC92784
Remote Similarity 0.6966 NPC98424
Remote Similarity 0.6966 NPC470884
Remote Similarity 0.6962 NPC469479
Remote Similarity 0.6957 NPC476241
Remote Similarity 0.6957 NPC236981
Remote Similarity 0.6957 NPC476260
Remote Similarity 0.6957 NPC307020
Remote Similarity 0.6953 NPC156648
Remote Similarity 0.694 NPC169328
Remote Similarity 0.6939 NPC57976
Remote Similarity 0.6934 NPC474862
Remote Similarity 0.6934 NPC142577
Remote Similarity 0.6933 NPC471820
Remote Similarity 0.6933 NPC471821
Remote Similarity 0.6929 NPC476353
Remote Similarity 0.6929 NPC89923
Remote Similarity 0.6929 NPC476198
Remote Similarity 0.6929 NPC239990
Remote Similarity 0.6929 NPC71933
Remote Similarity 0.6929 NPC105114
Remote Similarity 0.6929 NPC152850
Remote Similarity 0.6918 NPC46098
Remote Similarity 0.6918 NPC307357
Remote Similarity 0.6918 NPC268841
Remote Similarity 0.6914 NPC26108
Remote Similarity 0.6909 NPC329816
Remote Similarity 0.6906 NPC476179
Remote Similarity 0.6906 NPC47667
Remote Similarity 0.6906 NPC477249
Remote Similarity 0.6906 NPC477248
Remote Similarity 0.6906 NPC476125
Remote Similarity 0.6903 NPC297145
Remote Similarity 0.6903 NPC197743
Remote Similarity 0.6899 NPC158900
Remote Similarity 0.6899 NPC31274
Remote Similarity 0.6899 NPC63931
Remote Similarity 0.6897 NPC68865
Remote Similarity 0.6897 NPC109580
Remote Similarity 0.6894 NPC474544
Remote Similarity 0.6894 NPC1986
Remote Similarity 0.6889 NPC310467
Remote Similarity 0.6889 NPC314992
Remote Similarity 0.6887 NPC94602
Remote Similarity 0.6887 NPC132771
Remote Similarity 0.6884 NPC108286
Remote Similarity 0.6879 NPC472707
Remote Similarity 0.6879 NPC296712
Remote Similarity 0.6875 NPC475203
Remote Similarity 0.6875 NPC472315
Remote Similarity 0.6875 NPC472316
Remote Similarity 0.6875 NPC474376
Remote Similarity 0.6871 NPC150712
Remote Similarity 0.6867 NPC135121
Remote Similarity 0.6857 NPC79608
Remote Similarity 0.6855 NPC290515
Remote Similarity 0.6855 NPC226096
Remote Similarity 0.6855 NPC164514
Remote Similarity 0.6855 NPC108606
Remote Similarity 0.6855 NPC303611
Remote Similarity 0.6853 NPC275538
Remote Similarity 0.6852 NPC137627
Remote Similarity 0.685 NPC171831
Remote Similarity 0.685 NPC249067
Remote Similarity 0.685 NPC242913
Remote Similarity 0.685 NPC280616
Remote Similarity 0.6846 NPC24777
Remote Similarity 0.6846 NPC477217
Remote Similarity 0.6846 NPC5620
Remote Similarity 0.6846 NPC201244
Remote Similarity 0.6838 NPC319950
Remote Similarity 0.6835 NPC138798
Remote Similarity 0.6835 NPC14141
Remote Similarity 0.6832 NPC475204
Remote Similarity 0.6832 NPC474858
Remote Similarity 0.6832 NPC475123
Remote Similarity 0.6831 NPC301857
Remote Similarity 0.6828 NPC473360
Remote Similarity 0.6826 NPC473562
Remote Similarity 0.6825 NPC327226
Remote Similarity 0.6824 NPC161069
Remote Similarity 0.6822 NPC277788
Remote Similarity 0.6818 NPC272524
Remote Similarity 0.6806 NPC470392
Remote Similarity 0.68 NPC262077
Remote Similarity 0.68 NPC12730
Remote Similarity 0.6797 NPC472919
Remote Similarity 0.6797 NPC214239
Remote Similarity 0.6797 NPC211551
Remote Similarity 0.6797 NPC67043
Remote Similarity 0.6792 NPC26353
Remote Similarity 0.6791 NPC188010
Remote Similarity 0.6791 NPC101139
Remote Similarity 0.6786 NPC246166
Remote Similarity 0.6783 NPC157311
Remote Similarity 0.6779 NPC476978
Remote Similarity 0.6774 NPC476268
Remote Similarity 0.6774 NPC289201

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  290.18
ALogP  -3.251
MLogP  2.89
XLogP  3
HDA  3
HBD  1
Rotatable Bonds  7
TPSA  46.53
RO5 Violation  0