Drug Information

Drug ID:  NPD1754
Drug Name:  
Molecular Formula:  C15H21NO2
Canonical SMILES:  CCCN1CCC[C@@H]2[C@@H]1COc1c2cccc1O
Standard InCHI:  InChI=1S/C15H21NO2/c1-2-8-16-9-4-6-11-12-5-3-7-14(17)15(12)18-10-13(11)16/h3,5,7,11,13,17H,2,4,6,8-10H2,1H3/t11-,13-/m0/s1
Standard InCHIKey:  BJMSUUATNLDQQZ-AAEUAGOBSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1754

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 0.8533 NPC477565
High Similarity 0.8533 NPC103379
High Similarity 0.8523 NPC321505
High Similarity 0.8523 NPC179825
High Similarity 0.8523 NPC191376
Intermediate Similarity 0.8497 NPC189266
Intermediate Similarity 0.8497 NPC276588
Intermediate Similarity 0.8497 NPC2413
Intermediate Similarity 0.8497 NPC278799
Intermediate Similarity 0.8497 NPC249797
Intermediate Similarity 0.8497 NPC5238
Intermediate Similarity 0.8497 NPC127674
Intermediate Similarity 0.8497 NPC469817
Intermediate Similarity 0.8497 NPC204828
Intermediate Similarity 0.8497 NPC295691
Intermediate Similarity 0.8497 NPC54379
Intermediate Similarity 0.8497 NPC184026
Intermediate Similarity 0.8497 NPC193949
Intermediate Similarity 0.8497 NPC172765
Intermediate Similarity 0.8497 NPC207757
Intermediate Similarity 0.8497 NPC110416
Intermediate Similarity 0.8497 NPC39701
Intermediate Similarity 0.8467 NPC147390
Intermediate Similarity 0.8467 NPC246587
Intermediate Similarity 0.8467 NPC135538
Intermediate Similarity 0.8467 NPC428
Intermediate Similarity 0.8467 NPC476571
Intermediate Similarity 0.8467 NPC24233
Intermediate Similarity 0.8418 NPC124657
Intermediate Similarity 0.84 NPC476151
Intermediate Similarity 0.8389 NPC185838
Intermediate Similarity 0.8355 NPC220858
Intermediate Similarity 0.8355 NPC88249
Intermediate Similarity 0.8355 NPC192768
Intermediate Similarity 0.8355 NPC151895
Intermediate Similarity 0.8355 NPC97221
Intermediate Similarity 0.8247 NPC133011
Intermediate Similarity 0.8247 NPC82285
Intermediate Similarity 0.8219 NPC131204
Intermediate Similarity 0.8219 NPC301050
Intermediate Similarity 0.8205 NPC147091
Intermediate Similarity 0.8199 NPC204908
Intermediate Similarity 0.8199 NPC83198
Intermediate Similarity 0.8194 NPC2295
Intermediate Similarity 0.8194 NPC477564
Intermediate Similarity 0.8187 NPC42549
Intermediate Similarity 0.8187 NPC317272
Intermediate Similarity 0.8187 NPC256012
Intermediate Similarity 0.8187 NPC250846
Intermediate Similarity 0.8187 NPC240841
Intermediate Similarity 0.8187 NPC268503
Intermediate Similarity 0.8182 NPC76213
Intermediate Similarity 0.8182 NPC277669
Intermediate Similarity 0.8165 NPC27410
Intermediate Similarity 0.8165 NPC166014
Intermediate Similarity 0.8125 NPC276944
Intermediate Similarity 0.8125 NPC238530
Intermediate Similarity 0.8125 NPC232514
Intermediate Similarity 0.8105 NPC7467
Intermediate Similarity 0.8079 NPC294249
Intermediate Similarity 0.8075 NPC13916
Intermediate Similarity 0.8075 NPC264850
Intermediate Similarity 0.8054 NPC314682
Intermediate Similarity 0.8052 NPC207824
Intermediate Similarity 0.8052 NPC60538
Intermediate Similarity 0.805 NPC249274
Intermediate Similarity 0.805 NPC205167
Intermediate Similarity 0.8049 NPC152680
Intermediate Similarity 0.8049 NPC190783
Intermediate Similarity 0.8049 NPC232386
Intermediate Similarity 0.8039 NPC476144
Intermediate Similarity 0.8039 NPC51957
Intermediate Similarity 0.8039 NPC106295
Intermediate Similarity 0.8039 NPC16107
Intermediate Similarity 0.8039 NPC210437
Intermediate Similarity 0.8013 NPC37272
Intermediate Similarity 0.8012 NPC24465
Intermediate Similarity 0.8 NPC213206
Intermediate Similarity 0.8 NPC474915
Intermediate Similarity 0.8 NPC328750
Intermediate Similarity 0.8 NPC274026
Intermediate Similarity 0.8 NPC188163
Intermediate Similarity 0.7987 NPC111485
Intermediate Similarity 0.7975 NPC180756
Intermediate Similarity 0.7975 NPC323443
Intermediate Similarity 0.795 NPC324144
Intermediate Similarity 0.7937 NPC18402
Intermediate Similarity 0.7919 NPC193528
Intermediate Similarity 0.7917 NPC305847
Intermediate Similarity 0.7917 NPC286119
Intermediate Similarity 0.7914 NPC117188
Intermediate Similarity 0.7914 NPC205421
Intermediate Similarity 0.7914 NPC210140
Intermediate Similarity 0.7914 NPC12053
Intermediate Similarity 0.7914 NPC145832
Intermediate Similarity 0.7914 NPC158376
Intermediate Similarity 0.7914 NPC306555
Intermediate Similarity 0.7914 NPC81218
Intermediate Similarity 0.7914 NPC474931
Intermediate Similarity 0.7901 NPC4138
Intermediate Similarity 0.7901 NPC121275
Intermediate Similarity 0.7901 NPC196447
Intermediate Similarity 0.7901 NPC78222
Intermediate Similarity 0.7901 NPC253043
Intermediate Similarity 0.7901 NPC255607
Intermediate Similarity 0.7901 NPC136508
Intermediate Similarity 0.7901 NPC284183
Intermediate Similarity 0.7901 NPC477563
Intermediate Similarity 0.7901 NPC3375
Intermediate Similarity 0.7901 NPC212794
Intermediate Similarity 0.7901 NPC306843
Intermediate Similarity 0.7901 NPC96603
Intermediate Similarity 0.7901 NPC13504
Intermediate Similarity 0.7895 NPC128019
Intermediate Similarity 0.7895 NPC136860
Intermediate Similarity 0.7895 NPC476567
Intermediate Similarity 0.7879 NPC108434
Intermediate Similarity 0.7879 NPC475215
Intermediate Similarity 0.7875 NPC92191
Intermediate Similarity 0.7875 NPC59028
Intermediate Similarity 0.787 NPC222661
Intermediate Similarity 0.787 NPC328155
Intermediate Similarity 0.787 NPC182052
Intermediate Similarity 0.787 NPC229373
Intermediate Similarity 0.787 NPC54654
Intermediate Similarity 0.787 NPC251735
Intermediate Similarity 0.787 NPC311973
Intermediate Similarity 0.787 NPC15414
Intermediate Similarity 0.787 NPC49075
Intermediate Similarity 0.787 NPC104196
Intermediate Similarity 0.787 NPC279228
Intermediate Similarity 0.787 NPC223690
Intermediate Similarity 0.787 NPC90998
Intermediate Similarity 0.787 NPC271013
Intermediate Similarity 0.787 NPC290582
Intermediate Similarity 0.787 NPC8836
Intermediate Similarity 0.787 NPC285931
Intermediate Similarity 0.787 NPC290005
Intermediate Similarity 0.787 NPC30779
Intermediate Similarity 0.787 NPC185639
Intermediate Similarity 0.787 NPC217748
Intermediate Similarity 0.787 NPC7715
Intermediate Similarity 0.787 NPC42663
Intermediate Similarity 0.787 NPC302449
Intermediate Similarity 0.787 NPC181796
Intermediate Similarity 0.787 NPC239824
Intermediate Similarity 0.787 NPC258657
Intermediate Similarity 0.7866 NPC470324
Intermediate Similarity 0.7857 NPC32154
Intermediate Similarity 0.7853 NPC81247
Intermediate Similarity 0.7853 NPC35627
Intermediate Similarity 0.7853 NPC476573
Intermediate Similarity 0.784 NPC1229
Intermediate Similarity 0.7831 NPC2314
Intermediate Similarity 0.7824 NPC167116
Intermediate Similarity 0.7824 NPC274716
Intermediate Similarity 0.7824 NPC254441
Intermediate Similarity 0.7812 NPC475326
Intermediate Similarity 0.7808 NPC160193
Intermediate Similarity 0.7806 NPC277857
Intermediate Similarity 0.7806 NPC115144
Intermediate Similarity 0.7792 NPC130926
Intermediate Similarity 0.7791 NPC134858
Intermediate Similarity 0.7784 NPC329969
Intermediate Similarity 0.7778 NPC60186
Intermediate Similarity 0.7771 NPC476331
Intermediate Similarity 0.7758 NPC66573
Intermediate Similarity 0.7751 NPC99179
Intermediate Similarity 0.775 NPC146288
Intermediate Similarity 0.775 NPC160931
Intermediate Similarity 0.775 NPC25084
Intermediate Similarity 0.775 NPC37205
Intermediate Similarity 0.775 NPC247639
Intermediate Similarity 0.7748 NPC231572
Intermediate Similarity 0.7746 NPC206900
Intermediate Similarity 0.7746 NPC211992
Intermediate Similarity 0.7738 NPC241704
Intermediate Similarity 0.7736 NPC475557
Intermediate Similarity 0.7733 NPC116465
Intermediate Similarity 0.7733 NPC212237
Intermediate Similarity 0.773 NPC233650
Intermediate Similarity 0.773 NPC218614
Intermediate Similarity 0.7722 NPC326316
Intermediate Similarity 0.7722 NPC81733
Intermediate Similarity 0.7718 NPC218530
Intermediate Similarity 0.7716 NPC226428
Intermediate Similarity 0.7711 NPC109925
Intermediate Similarity 0.7711 NPC168753
Intermediate Similarity 0.7711 NPC118274
Intermediate Similarity 0.7702 NPC148014
Intermediate Similarity 0.7702 NPC65490
Intermediate Similarity 0.7702 NPC40389
Intermediate Similarity 0.7702 NPC78359
Intermediate Similarity 0.7702 NPC315707
Intermediate Similarity 0.7697 NPC252960
Intermediate Similarity 0.7697 NPC298979
Intermediate Similarity 0.7688 NPC216459
Intermediate Similarity 0.7688 NPC41178
Intermediate Similarity 0.7688 NPC22115
Intermediate Similarity 0.7688 NPC138487

Drug Structure

External Identifiers

TTD   DIB010703
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   195284
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  247.16
ALogP  -1.192
MLogP  2.78
XLogP  2.277
HDA  1
HBD  1
Rotatable Bonds  4
TPSA  32.7
RO5 Violation  0