Drug Information

Drug ID:  NPD2156
Drug Name:  
Molecular Formula:  C16H21NO2
Canonical SMILES:  O[C@@H](COc1cccc2c1cccc2)CNC(C)C
Standard InCHI:  InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1
Standard InCHIKey:  AQHHHDLHHXJYJD-CQSZACIVSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD2156

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 NPC231163
High Similarity 1.0 NPC318591
High Similarity 0.9147 NPC141739
High Similarity 0.9147 NPC136112
High Similarity 0.8855 NPC320242
Intermediate Similarity 0.8467 NPC307123
Intermediate Similarity 0.8467 NPC247018
Intermediate Similarity 0.8467 NPC97870
Intermediate Similarity 0.7883 NPC328267
Intermediate Similarity 0.7877 NPC204546
Intermediate Similarity 0.7843 NPC477564
Intermediate Similarity 0.7843 NPC2295
Intermediate Similarity 0.7597 NPC76213
Intermediate Similarity 0.7597 NPC277669
Intermediate Similarity 0.7582 NPC207824
Intermediate Similarity 0.7582 NPC60538
Intermediate Similarity 0.7574 NPC329980
Intermediate Similarity 0.7516 NPC29647
Intermediate Similarity 0.75 NPC124433
Intermediate Similarity 0.75 NPC293871
Intermediate Similarity 0.7482 NPC211992
Intermediate Similarity 0.7468 NPC79328
Intermediate Similarity 0.7468 NPC477565
Intermediate Similarity 0.7468 NPC103379
Intermediate Similarity 0.7463 NPC26524
Intermediate Similarity 0.7451 NPC476151
Intermediate Similarity 0.7432 NPC253429
Intermediate Similarity 0.7429 NPC71090
Intermediate Similarity 0.7429 NPC298486
Intermediate Similarity 0.7407 NPC476573
Intermediate Similarity 0.7407 NPC470837
Intermediate Similarity 0.7407 NPC35627
Intermediate Similarity 0.7407 NPC195392
Intermediate Similarity 0.7407 NPC81247
Intermediate Similarity 0.7405 NPC203784
Intermediate Similarity 0.7405 NPC194034
Intermediate Similarity 0.7405 NPC126519
Intermediate Similarity 0.7405 NPC170503
Intermediate Similarity 0.7376 NPC217277
Intermediate Similarity 0.7368 NPC294249
Intermediate Similarity 0.7357 NPC127389
Intermediate Similarity 0.7357 NPC290451
Intermediate Similarity 0.7349 NPC329969
Intermediate Similarity 0.7338 NPC321133
Intermediate Similarity 0.7333 NPC477837
Intermediate Similarity 0.7333 NPC477838
Intermediate Similarity 0.7324 NPC293701
Intermediate Similarity 0.7324 NPC114901
Intermediate Similarity 0.7324 NPC109822
Intermediate Similarity 0.7324 NPC48990
Intermediate Similarity 0.7324 NPC94276
Intermediate Similarity 0.7313 NPC21890
Intermediate Similarity 0.7305 NPC188997
Intermediate Similarity 0.7299 NPC290470
Intermediate Similarity 0.7299 NPC154256
Intermediate Similarity 0.7296 NPC160931
Intermediate Similarity 0.7296 NPC37205
Intermediate Similarity 0.7286 NPC473875
Intermediate Similarity 0.7286 NPC212559
Intermediate Similarity 0.7285 NPC323204
Intermediate Similarity 0.7283 NPC475754
Intermediate Similarity 0.7279 NPC160692
Intermediate Similarity 0.7273 NPC194519
Intermediate Similarity 0.7267 NPC158900
Intermediate Similarity 0.726 NPC326599
Intermediate Similarity 0.726 NPC329595
Intermediate Similarity 0.7254 NPC255253
Intermediate Similarity 0.7254 NPC474130
Intermediate Similarity 0.7254 NPC261992
Intermediate Similarity 0.725 NPC129603
Intermediate Similarity 0.7246 NPC137096
Intermediate Similarity 0.7239 NPC209377
Intermediate Similarity 0.7233 NPC204828
Intermediate Similarity 0.7233 NPC276588
Intermediate Similarity 0.7233 NPC54379
Intermediate Similarity 0.7233 NPC39701
Intermediate Similarity 0.7233 NPC172765
Intermediate Similarity 0.7233 NPC278799
Intermediate Similarity 0.7233 NPC207757
Intermediate Similarity 0.7233 NPC249797
Intermediate Similarity 0.7233 NPC184026
Intermediate Similarity 0.7233 NPC110416
Intermediate Similarity 0.7233 NPC2413
Intermediate Similarity 0.7233 NPC469817
Intermediate Similarity 0.7233 NPC193949
Intermediate Similarity 0.7233 NPC189266
Intermediate Similarity 0.7233 NPC295691
Intermediate Similarity 0.7233 NPC127674
Intermediate Similarity 0.7233 NPC5238
Intermediate Similarity 0.7229 NPC475215
Intermediate Similarity 0.7229 NPC108434
Intermediate Similarity 0.7226 NPC106295
Intermediate Similarity 0.7226 NPC321505
Intermediate Similarity 0.7226 NPC283169
Intermediate Similarity 0.7226 NPC191376
Intermediate Similarity 0.7226 NPC51957
Intermediate Similarity 0.7226 NPC210437
Intermediate Similarity 0.7226 NPC16107
Intermediate Similarity 0.7226 NPC179825
Intermediate Similarity 0.7226 NPC476144
Intermediate Similarity 0.7222 NPC191037
Intermediate Similarity 0.7222 NPC58607
Intermediate Similarity 0.7222 NPC178284
Intermediate Similarity 0.7219 NPC314682
Intermediate Similarity 0.7219 NPC83289
Intermediate Similarity 0.7219 NPC189724
Intermediate Similarity 0.7219 NPC212850
Intermediate Similarity 0.7215 NPC206372
Intermediate Similarity 0.7215 NPC203424
Intermediate Similarity 0.7215 NPC114124
Intermediate Similarity 0.7214 NPC263835
Intermediate Similarity 0.7211 NPC118419
Intermediate Similarity 0.7211 NPC284232
Intermediate Similarity 0.7208 NPC185838
Intermediate Similarity 0.7205 NPC7393
Intermediate Similarity 0.7203 NPC61685
Intermediate Similarity 0.72 NPC193528
Intermediate Similarity 0.72 NPC14600
Intermediate Similarity 0.72 NPC41473
Intermediate Similarity 0.72 NPC160607
Intermediate Similarity 0.72 NPC204848
Intermediate Similarity 0.72 NPC312770
Intermediate Similarity 0.7195 NPC56887
Intermediate Similarity 0.7195 NPC124657
Intermediate Similarity 0.7195 NPC223077
Intermediate Similarity 0.7195 NPC193853
Intermediate Similarity 0.7194 NPC474214
Intermediate Similarity 0.7194 NPC474040
Intermediate Similarity 0.7194 NPC283616
Intermediate Similarity 0.7188 NPC180756
Intermediate Similarity 0.7188 NPC323443
Intermediate Similarity 0.7186 NPC66341
Intermediate Similarity 0.7186 NPC192135
Intermediate Similarity 0.7186 NPC477020
Intermediate Similarity 0.7183 NPC46586
Intermediate Similarity 0.7183 NPC204535
Intermediate Similarity 0.7183 NPC152946
Intermediate Similarity 0.7181 NPC141023
Intermediate Similarity 0.7181 NPC478085
Intermediate Similarity 0.7179 NPC476571
Intermediate Similarity 0.7179 NPC24233
Intermediate Similarity 0.7179 NPC147390
Intermediate Similarity 0.7179 NPC7467
Intermediate Similarity 0.7179 NPC428
Intermediate Similarity 0.7179 NPC135538
Intermediate Similarity 0.7179 NPC246587
Intermediate Similarity 0.7178 NPC233650
Intermediate Similarity 0.7178 NPC475393
Intermediate Similarity 0.7176 NPC241224
Intermediate Similarity 0.7172 NPC111247
Intermediate Similarity 0.7172 NPC183181
Intermediate Similarity 0.7172 NPC147821
Intermediate Similarity 0.7172 NPC319625
Intermediate Similarity 0.7172 NPC163332
Intermediate Similarity 0.7172 NPC118787
Intermediate Similarity 0.7172 NPC469386
Intermediate Similarity 0.7172 NPC41706
Intermediate Similarity 0.7172 NPC474119
Intermediate Similarity 0.7172 NPC292056
Intermediate Similarity 0.7171 NPC474915
Intermediate Similarity 0.7171 NPC213206
Intermediate Similarity 0.7171 NPC328750
Intermediate Similarity 0.7171 NPC188163
Intermediate Similarity 0.717 NPC475557
Intermediate Similarity 0.717 NPC233926
Intermediate Similarity 0.7169 NPC477562
Intermediate Similarity 0.7169 NPC26240
Intermediate Similarity 0.7169 NPC69712
Intermediate Similarity 0.7163 NPC207613
Intermediate Similarity 0.7162 NPC230219
Intermediate Similarity 0.7162 NPC189482
Intermediate Similarity 0.7161 NPC473934
Intermediate Similarity 0.716 NPC18402
Intermediate Similarity 0.7152 NPC210140
Intermediate Similarity 0.7143 NPC78359
Intermediate Similarity 0.7143 NPC186469
Intermediate Similarity 0.7143 NPC315707
Intermediate Similarity 0.7143 NPC163036
Intermediate Similarity 0.7143 NPC148014
Intermediate Similarity 0.7143 NPC40389
Intermediate Similarity 0.7143 NPC256369
Intermediate Similarity 0.7143 NPC474320
Intermediate Similarity 0.7143 NPC11089
Intermediate Similarity 0.7143 NPC143483
Intermediate Similarity 0.7143 NPC65490
Intermediate Similarity 0.7135 NPC476575
Intermediate Similarity 0.7134 NPC169743
Intermediate Similarity 0.7134 NPC134858
Intermediate Similarity 0.7133 NPC140359
Intermediate Similarity 0.7133 NPC13020
Intermediate Similarity 0.7132 NPC165646
Intermediate Similarity 0.7125 NPC150670
Intermediate Similarity 0.7122 NPC120075
Intermediate Similarity 0.7122 NPC86947
Intermediate Similarity 0.7121 NPC470393
Intermediate Similarity 0.7118 NPC267408
Intermediate Similarity 0.7114 NPC263064
Intermediate Similarity 0.7114 NPC475840
Intermediate Similarity 0.7114 NPC26394
Intermediate Similarity 0.7114 NPC138940

Drug Structure

External Identifiers

TTD   DAP000089
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   21138
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  259.16
ALogP  -1.0098
MLogP  2.89
XLogP  4.053
HDA  2
HBD  2
Rotatable Bonds  9
TPSA  41.49
RO5 Violation  0