Drug Information

Drug ID:  NPD3048
Drug Name:  Orphenadrine
Molecular Formula:  C18H23NO
Canonical SMILES:  CN(CCOC(c1ccccc1C)c1ccccc1)C
Standard InCHI:  InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
Standard InCHIKey:  QVYRGXJJSLMXQH-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD3048

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 0.9688 NPC316797
Intermediate Similarity 0.7909 NPC24777
Intermediate Similarity 0.7863 NPC316896
Intermediate Similarity 0.7812 NPC165212
Intermediate Similarity 0.7667 NPC255253
Intermediate Similarity 0.7664 NPC214200
Intermediate Similarity 0.7664 NPC228400
Intermediate Similarity 0.7611 NPC269340
Intermediate Similarity 0.7589 NPC65855
Intermediate Similarity 0.7589 NPC292758
Intermediate Similarity 0.7576 NPC95429
Intermediate Similarity 0.7451 NPC304760
Intermediate Similarity 0.7339 NPC245927
Intermediate Similarity 0.7315 NPC475954
Intermediate Similarity 0.7281 NPC273837
Intermediate Similarity 0.7273 NPC327226
Intermediate Similarity 0.7238 NPC119631
Intermediate Similarity 0.7228 NPC304538
Intermediate Similarity 0.7212 NPC199567
Intermediate Similarity 0.72 NPC106313
Intermediate Similarity 0.719 NPC321133
Intermediate Similarity 0.7168 NPC135464
Intermediate Similarity 0.7168 NPC92623
Intermediate Similarity 0.7157 NPC475710
Intermediate Similarity 0.7157 NPC58616
Intermediate Similarity 0.7156 NPC313918
Intermediate Similarity 0.7143 NPC240108
Intermediate Similarity 0.7143 NPC213156
Intermediate Similarity 0.7143 NPC147000
Intermediate Similarity 0.7143 NPC226778
Intermediate Similarity 0.7143 NPC304761
Intermediate Similarity 0.7143 NPC150254
Intermediate Similarity 0.713 NPC21959
Intermediate Similarity 0.7129 NPC172984
Intermediate Similarity 0.7117 NPC154905
Intermediate Similarity 0.7117 NPC60373
Intermediate Similarity 0.7097 NPC211218
Intermediate Similarity 0.7097 NPC328267
Intermediate Similarity 0.708 NPC211551
Intermediate Similarity 0.708 NPC233396
Intermediate Similarity 0.708 NPC154899
Intermediate Similarity 0.7048 NPC220893
Intermediate Similarity 0.7045 NPC318591
Intermediate Similarity 0.7045 NPC231163
Intermediate Similarity 0.7037 NPC20142
Intermediate Similarity 0.7037 NPC215351
Intermediate Similarity 0.7034 NPC176730
Intermediate Similarity 0.7034 NPC123175
Intermediate Similarity 0.703 NPC87299
Intermediate Similarity 0.703 NPC99394
Intermediate Similarity 0.703 NPC329319
Intermediate Similarity 0.703 NPC475199
Intermediate Similarity 0.703 NPC103326
Intermediate Similarity 0.703 NPC283012
Intermediate Similarity 0.7019 NPC89377
Intermediate Similarity 0.7018 NPC326801
Intermediate Similarity 0.7009 NPC128645
Intermediate Similarity 0.7 NPC290515
Intermediate Similarity 0.7 NPC164514
Intermediate Similarity 0.7 NPC164449
Intermediate Similarity 0.7 NPC108606
Intermediate Similarity 0.7 NPC226096
Intermediate Similarity 0.7 NPC328178
Intermediate Similarity 0.7 NPC303611
Intermediate Similarity 0.7 NPC184030
Remote Similarity 0.6991 NPC241224
Remote Similarity 0.699 NPC99482
Remote Similarity 0.6983 NPC474272
Remote Similarity 0.6983 NPC306045
Remote Similarity 0.6983 NPC265211
Remote Similarity 0.6964 NPC300166
Remote Similarity 0.696 NPC307020
Remote Similarity 0.6949 NPC128368
Remote Similarity 0.6944 NPC23453
Remote Similarity 0.6937 NPC472318
Remote Similarity 0.6937 NPC98911
Remote Similarity 0.6931 NPC133050
Remote Similarity 0.6931 NPC117180
Remote Similarity 0.693 NPC243601
Remote Similarity 0.6923 NPC474157
Remote Similarity 0.6911 NPC476183
Remote Similarity 0.6911 NPC263835
Remote Similarity 0.6909 NPC33168
Remote Similarity 0.6909 NPC325499
Remote Similarity 0.6905 NPC95733
Remote Similarity 0.6905 NPC62101
Remote Similarity 0.6903 NPC19856
Remote Similarity 0.6903 NPC234305
Remote Similarity 0.6897 NPC83628
Remote Similarity 0.6897 NPC265407
Remote Similarity 0.6891 NPC307651
Remote Similarity 0.6891 NPC169616
Remote Similarity 0.6887 NPC1793
Remote Similarity 0.6887 NPC173443
Remote Similarity 0.6881 NPC5472
Remote Similarity 0.6881 NPC58674
Remote Similarity 0.6875 NPC469481
Remote Similarity 0.687 NPC472315
Remote Similarity 0.687 NPC113457
Remote Similarity 0.687 NPC475203
Remote Similarity 0.687 NPC472316
Remote Similarity 0.687 NPC474376
Remote Similarity 0.6863 NPC121478
Remote Similarity 0.6863 NPC73637
Remote Similarity 0.6857 NPC211237
Remote Similarity 0.6855 NPC476281
Remote Similarity 0.6855 NPC476184
Remote Similarity 0.6852 NPC265521
Remote Similarity 0.685 NPC29477
Remote Similarity 0.6847 NPC470161
Remote Similarity 0.6842 NPC85977
Remote Similarity 0.6833 NPC474408
Remote Similarity 0.6829 NPC256369
Remote Similarity 0.6829 NPC43275
Remote Similarity 0.6827 NPC474354
Remote Similarity 0.6822 NPC172128
Remote Similarity 0.6815 NPC212850
Remote Similarity 0.6815 NPC83289
Remote Similarity 0.6815 NPC189724
Remote Similarity 0.6814 NPC318154
Remote Similarity 0.681 NPC27252
Remote Similarity 0.681 NPC472980
Remote Similarity 0.681 NPC472979
Remote Similarity 0.6807 NPC42911
Remote Similarity 0.6807 NPC265002
Remote Similarity 0.6807 NPC153795
Remote Similarity 0.6807 NPC290353
Remote Similarity 0.6803 NPC45794
Remote Similarity 0.6803 NPC476266
Remote Similarity 0.68 NPC26285
Remote Similarity 0.6786 NPC216468
Remote Similarity 0.6786 NPC51333
Remote Similarity 0.6786 NPC78119
Remote Similarity 0.6786 NPC132078
Remote Similarity 0.678 NPC95977
Remote Similarity 0.678 NPC210089
Remote Similarity 0.6777 NPC283169
Remote Similarity 0.6777 NPC303370
Remote Similarity 0.6774 NPC326232
Remote Similarity 0.6762 NPC474211
Remote Similarity 0.6762 NPC93843
Remote Similarity 0.6752 NPC201959
Remote Similarity 0.6752 NPC149455
Remote Similarity 0.6752 NPC17417
Remote Similarity 0.6752 NPC472982
Remote Similarity 0.6752 NPC10251
Remote Similarity 0.6752 NPC469636
Remote Similarity 0.6752 NPC64642
Remote Similarity 0.675 NPC26524
Remote Similarity 0.675 NPC477411
Remote Similarity 0.675 NPC474544
Remote Similarity 0.675 NPC1986
Remote Similarity 0.6748 NPC254233
Remote Similarity 0.6746 NPC471314
Remote Similarity 0.6746 NPC471315
Remote Similarity 0.6746 NPC476278
Remote Similarity 0.6742 NPC325568
Remote Similarity 0.6731 NPC133162
Remote Similarity 0.6731 NPC168855
Remote Similarity 0.6729 NPC231591
Remote Similarity 0.6726 NPC42211
Remote Similarity 0.6726 NPC213730
Remote Similarity 0.6726 NPC294741
Remote Similarity 0.6724 NPC136962
Remote Similarity 0.6723 NPC82899
Remote Similarity 0.6723 NPC166837
Remote Similarity 0.6723 NPC79496
Remote Similarity 0.6723 NPC270699
Remote Similarity 0.6723 NPC234376
Remote Similarity 0.6719 NPC141739
Remote Similarity 0.6719 NPC136112
Remote Similarity 0.6719 NPC320242
Remote Similarity 0.6715 NPC473922
Remote Similarity 0.6698 NPC198747
Remote Similarity 0.6697 NPC321956
Remote Similarity 0.6695 NPC214067
Remote Similarity 0.6695 NPC251854
Remote Similarity 0.6695 NPC196246
Remote Similarity 0.6695 NPC93084
Remote Similarity 0.6695 NPC158854
Remote Similarity 0.6694 NPC210092
Remote Similarity 0.6694 NPC221275
Remote Similarity 0.6694 NPC228936
Remote Similarity 0.6694 NPC474095
Remote Similarity 0.6693 NPC476241
Remote Similarity 0.6693 NPC476260
Remote Similarity 0.6693 NPC285394
Remote Similarity 0.6667 NPC186469
Remote Similarity 0.6667 NPC56493
Remote Similarity 0.6667 NPC40258
Remote Similarity 0.6667 NPC7686
Remote Similarity 0.6667 NPC25648
Remote Similarity 0.6667 NPC272524
Remote Similarity 0.6667 NPC26244
Remote Similarity 0.6667 NPC91461
Remote Similarity 0.6641 NPC476125
Remote Similarity 0.6641 NPC476179
Remote Similarity 0.664 NPC289432
Remote Similarity 0.664 NPC233923
Remote Similarity 0.664 NPC988

Drug Structure

External Identifiers

TTD   DAP000858
DrugBank   DB01173
ChEMBL   CHEMBL900
IUPHAR/BPS   7251
PharmaGKB   PA450715
KEGG Drug  
PubChem CID   4601
ChEBI   7789
CAS Number  83-98-7

Drug Properties

Molecular Weight  269.18
ALogP  0.6785
MLogP  3.22
XLogP  6.049
HDA  2
HBD  0
Rotatable Bonds  9
TPSA  12.47
RO5 Violation  1