Drug Information

Drug ID:  NPD3446
Drug Name:  beloxepin (oral, pain), Adolor
Molecular Formula:  C19H21NO2
Canonical SMILES:  CN1CC[C@@]2([C@H](C1)c1cccc(c1Oc1c2cccc1)C)O
Standard InCHI:  InChI=1S/C19H21NO2/c1-13-6-5-7-14-16-12-20(2)11-10-19(16,21)15-8-3-4-9-17(15)22-18(13)14/h3-9,16,21H,10-12H2,1-2H3/t16-,19-/m1/s1
Standard InCHIKey:  RPMDQAYGQBREBS-VQIMIIECSA-N
Max Developmental Stage:  Phase 1
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD3446

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 0.8011 NPC327005
Intermediate Similarity 0.7886 NPC129578
Intermediate Similarity 0.7809 NPC309692
Intermediate Similarity 0.7609 NPC469437
Intermediate Similarity 0.7473 NPC99723
Intermediate Similarity 0.7457 NPC133817
Intermediate Similarity 0.7457 NPC476443
Intermediate Similarity 0.7421 NPC83019
Intermediate Similarity 0.7368 NPC204580
Intermediate Similarity 0.7354 NPC264938
Intermediate Similarity 0.7346 NPC118253
Intermediate Similarity 0.7268 NPC15987
Intermediate Similarity 0.7267 NPC39195
Intermediate Similarity 0.7251 NPC477955
Intermediate Similarity 0.7249 NPC226708
Intermediate Similarity 0.7209 NPC308200
Intermediate Similarity 0.7208 NPC198160
Intermediate Similarity 0.7193 NPC223873
Intermediate Similarity 0.7184 NPC471115
Intermediate Similarity 0.7184 NPC29777
Intermediate Similarity 0.7176 NPC144499
Intermediate Similarity 0.7168 NPC145467
Intermediate Similarity 0.716 NPC477272
Intermediate Similarity 0.7159 NPC1477
Intermediate Similarity 0.7159 NPC213608
Intermediate Similarity 0.7151 NPC299011
Intermediate Similarity 0.7143 NPC474487
Intermediate Similarity 0.7143 NPC474504
Intermediate Similarity 0.7143 NPC470671
Intermediate Similarity 0.7143 NPC470672
Intermediate Similarity 0.7143 NPC166979
Intermediate Similarity 0.7135 NPC166138
Intermediate Similarity 0.7135 NPC18585
Intermediate Similarity 0.7135 NPC65504
Intermediate Similarity 0.7135 NPC106985
Intermediate Similarity 0.7127 NPC284842
Intermediate Similarity 0.7126 NPC471114
Intermediate Similarity 0.7114 NPC305542
Intermediate Similarity 0.7114 NPC116178
Intermediate Similarity 0.7102 NPC5871
Intermediate Similarity 0.7095 NPC40583
Intermediate Similarity 0.7095 NPC153631
Intermediate Similarity 0.7094 NPC38964
Intermediate Similarity 0.7093 NPC234629
Intermediate Similarity 0.7093 NPC184649
Intermediate Similarity 0.7093 NPC311741
Intermediate Similarity 0.7093 NPC303185
Intermediate Similarity 0.7093 NPC271288
Intermediate Similarity 0.7093 NPC311144
Intermediate Similarity 0.7092 NPC243483
Intermediate Similarity 0.7092 NPC232533
Intermediate Similarity 0.7092 NPC97086
Intermediate Similarity 0.7083 NPC469815
Intermediate Similarity 0.7083 NPC469816
Intermediate Similarity 0.7081 NPC222524
Intermediate Similarity 0.7079 NPC217903
Intermediate Similarity 0.7079 NPC30749
Intermediate Similarity 0.7079 NPC321166
Intermediate Similarity 0.7072 NPC473196
Intermediate Similarity 0.7069 NPC186397
Intermediate Similarity 0.7069 NPC37135
Intermediate Similarity 0.7069 NPC272194
Intermediate Similarity 0.7062 NPC472462
Intermediate Similarity 0.7059 NPC305355
Intermediate Similarity 0.7059 NPC235239
Intermediate Similarity 0.7059 NPC69769
Intermediate Similarity 0.7059 NPC475680
Intermediate Similarity 0.7053 NPC208890
Intermediate Similarity 0.7052 NPC211565
Intermediate Similarity 0.7045 NPC476162
Intermediate Similarity 0.7045 NPC305965
Intermediate Similarity 0.7045 NPC149085
Intermediate Similarity 0.7041 NPC470668
Intermediate Similarity 0.7041 NPC470669
Intermediate Similarity 0.7039 NPC135006
Intermediate Similarity 0.7039 NPC268360
Intermediate Similarity 0.7035 NPC113770
Intermediate Similarity 0.7035 NPC38219
Intermediate Similarity 0.7035 NPC219915
Intermediate Similarity 0.7033 NPC159508
Intermediate Similarity 0.7029 NPC10027
Intermediate Similarity 0.7029 NPC473016
Intermediate Similarity 0.7029 NPC221868
Intermediate Similarity 0.7029 NPC65775
Intermediate Similarity 0.7029 NPC37226
Intermediate Similarity 0.7029 NPC226644
Intermediate Similarity 0.7029 NPC266499
Intermediate Similarity 0.7029 NPC223988
Intermediate Similarity 0.7029 NPC37208
Intermediate Similarity 0.7024 NPC82056
Intermediate Similarity 0.7018 NPC156590
Intermediate Similarity 0.7018 NPC205006
Intermediate Similarity 0.7018 NPC118840
Intermediate Similarity 0.7018 NPC64908
Intermediate Similarity 0.7018 NPC147688
Intermediate Similarity 0.7012 NPC278787
Intermediate Similarity 0.7011 NPC150215
Intermediate Similarity 0.701 NPC24228
Intermediate Similarity 0.7006 NPC210597
Intermediate Similarity 0.7005 NPC43069
Intermediate Similarity 0.7005 NPC140577
Intermediate Similarity 0.7005 NPC67346
Intermediate Similarity 0.7 NPC244750
Remote Similarity 0.6994 NPC131568
Remote Similarity 0.6994 NPC470673
Remote Similarity 0.6994 NPC131579
Remote Similarity 0.6994 NPC117716
Remote Similarity 0.6994 NPC473013
Remote Similarity 0.6994 NPC326500
Remote Similarity 0.6994 NPC209040
Remote Similarity 0.6994 NPC470674
Remote Similarity 0.6994 NPC47152
Remote Similarity 0.6994 NPC473015
Remote Similarity 0.6989 NPC78335
Remote Similarity 0.6989 NPC120105
Remote Similarity 0.6989 NPC227122
Remote Similarity 0.6989 NPC101957
Remote Similarity 0.6989 NPC230713
Remote Similarity 0.6977 NPC226636
Remote Similarity 0.6977 NPC11561
Remote Similarity 0.6977 NPC204469
Remote Similarity 0.6977 NPC202981
Remote Similarity 0.6974 NPC234933
Remote Similarity 0.6971 NPC68967
Remote Similarity 0.6971 NPC266572
Remote Similarity 0.6971 NPC191634
Remote Similarity 0.6971 NPC296869
Remote Similarity 0.6971 NPC135325
Remote Similarity 0.697 NPC141549
Remote Similarity 0.6966 NPC235333
Remote Similarity 0.6966 NPC95842
Remote Similarity 0.6966 NPC29647
Remote Similarity 0.6966 NPC280530
Remote Similarity 0.6966 NPC100134
Remote Similarity 0.6966 NPC209760
Remote Similarity 0.6966 NPC178964
Remote Similarity 0.6964 NPC151113
Remote Similarity 0.6964 NPC471316
Remote Similarity 0.6961 NPC260296
Remote Similarity 0.6961 NPC115432
Remote Similarity 0.6959 NPC145673
Remote Similarity 0.6959 NPC125924
Remote Similarity 0.6959 NPC172986
Remote Similarity 0.6959 NPC261227
Remote Similarity 0.6959 NPC297322
Remote Similarity 0.6959 NPC270883
Remote Similarity 0.6957 NPC193805
Remote Similarity 0.6954 NPC470676
Remote Similarity 0.6954 NPC82534
Remote Similarity 0.6954 NPC473135
Remote Similarity 0.6954 NPC473132
Remote Similarity 0.6954 NPC51641
Remote Similarity 0.6954 NPC127059
Remote Similarity 0.6954 NPC210826
Remote Similarity 0.6954 NPC300267
Remote Similarity 0.6954 NPC285630
Remote Similarity 0.6954 NPC124729
Remote Similarity 0.6954 NPC472629
Remote Similarity 0.6954 NPC329678
Remote Similarity 0.6954 NPC60389
Remote Similarity 0.6951 NPC187907
Remote Similarity 0.6951 NPC473019
Remote Similarity 0.695 NPC212123
Remote Similarity 0.6949 NPC170169
Remote Similarity 0.6949 NPC471676
Remote Similarity 0.6949 NPC471649
Remote Similarity 0.6949 NPC471229
Remote Similarity 0.6949 NPC472422
Remote Similarity 0.6949 NPC472420
Remote Similarity 0.6949 NPC244577
Remote Similarity 0.6949 NPC207346
Remote Similarity 0.6949 NPC46564
Remote Similarity 0.6949 NPC263384
Remote Similarity 0.6944 NPC296957
Remote Similarity 0.6944 NPC260902
Remote Similarity 0.6944 NPC476930
Remote Similarity 0.6942 NPC316368
Remote Similarity 0.6942 NPC284236
Remote Similarity 0.6941 NPC131130
Remote Similarity 0.6941 NPC18457
Remote Similarity 0.694 NPC476931
Remote Similarity 0.694 NPC155640
Remote Similarity 0.6939 NPC207239
Remote Similarity 0.6936 NPC169591
Remote Similarity 0.6936 NPC75049
Remote Similarity 0.6936 NPC39329
Remote Similarity 0.6936 NPC5990
Remote Similarity 0.6936 NPC212932
Remote Similarity 0.6936 NPC125894
Remote Similarity 0.6936 NPC478086
Remote Similarity 0.6936 NPC293053
Remote Similarity 0.6936 NPC190637
Remote Similarity 0.6936 NPC214166
Remote Similarity 0.6936 NPC278249
Remote Similarity 0.6936 NPC85162
Remote Similarity 0.6936 NPC150408
Remote Similarity 0.6936 NPC316816
Remote Similarity 0.6936 NPC143896
Remote Similarity 0.6936 NPC175504
Remote Similarity 0.6936 NPC77794

Drug Structure

External Identifiers

TTD   DIB015682
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  295.16
ALogP  0.6137
MLogP  3.22
XLogP  0.95
HDA  3
HBD  1
Rotatable Bonds  3
TPSA  32.7
RO5 Violation  0