Drug Information

Drug ID:  NPD768
Drug Name:  
Molecular Formula:  C12H15ClN2
Canonical SMILES:  Clc1ccc(cn1)C1CC2NC1CCC2
Standard InCHI:  InChI=1S/C12H15ClN2/c13-12-5-4-8(7-14-12)10-6-9-2-1-3-11(10)15-9/h4-5,7,9-11,15H,1-3,6H2
Standard InCHIKey:  GDSORCYTZJIZHU-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD768

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 0.9412 NPC476454
High Similarity 0.8864 NPC245244
High Similarity 0.8864 NPC166424
High Similarity 0.8864 NPC146373
High Similarity 0.8788 NPC27740
Intermediate Similarity 0.8451 NPC32002
Intermediate Similarity 0.8451 NPC315348
Intermediate Similarity 0.8284 NPC265605
Intermediate Similarity 0.8284 NPC48564
Intermediate Similarity 0.8284 NPC182570
Intermediate Similarity 0.8092 NPC476464
Intermediate Similarity 0.806 NPC91958
Intermediate Similarity 0.7986 NPC96102
Intermediate Similarity 0.7958 NPC101165
Intermediate Similarity 0.7956 NPC329825
Intermediate Similarity 0.7943 NPC329896
Intermediate Similarity 0.7943 NPC475105
Intermediate Similarity 0.7943 NPC475090
Intermediate Similarity 0.7931 NPC105127
Intermediate Similarity 0.7931 NPC84911
Intermediate Similarity 0.7895 NPC470233
Intermediate Similarity 0.7887 NPC282398
Intermediate Similarity 0.7872 NPC89490
Intermediate Similarity 0.7871 NPC477591
Intermediate Similarity 0.7862 NPC261195
Intermediate Similarity 0.7862 NPC29886
Intermediate Similarity 0.7852 NPC471402
Intermediate Similarity 0.7852 NPC297486
Intermediate Similarity 0.7852 NPC240136
Intermediate Similarity 0.7842 NPC476322
Intermediate Similarity 0.7823 NPC73767
Intermediate Similarity 0.7823 NPC110126
Intermediate Similarity 0.7815 NPC469811
Intermediate Similarity 0.7808 NPC471312
Intermediate Similarity 0.7794 NPC143603
Intermediate Similarity 0.777 NPC469779
Intermediate Similarity 0.777 NPC469768
Intermediate Similarity 0.777 NPC469780
Intermediate Similarity 0.777 NPC469783
Intermediate Similarity 0.777 NPC469761
Intermediate Similarity 0.777 NPC279081
Intermediate Similarity 0.777 NPC469767
Intermediate Similarity 0.777 NPC469784
Intermediate Similarity 0.7763 NPC321911
Intermediate Similarity 0.7748 NPC63545
Intermediate Similarity 0.7727 NPC27802
Intermediate Similarity 0.7718 NPC469766
Intermediate Similarity 0.7708 NPC82295
Intermediate Similarity 0.7697 NPC179787
Intermediate Similarity 0.7697 NPC201380
Intermediate Similarity 0.7667 NPC190296
Intermediate Similarity 0.7651 NPC230002
Intermediate Similarity 0.7643 NPC56765
Intermediate Similarity 0.7643 NPC290094
Intermediate Similarity 0.7639 NPC69914
Intermediate Similarity 0.7632 NPC288838
Intermediate Similarity 0.7632 NPC143872
Intermediate Similarity 0.7619 NPC325252
Intermediate Similarity 0.7613 NPC325903
Intermediate Similarity 0.7597 NPC53947
Intermediate Similarity 0.7584 NPC88097
Intermediate Similarity 0.7569 NPC476131
Intermediate Similarity 0.7566 NPC314372
Intermediate Similarity 0.7566 NPC159856
Intermediate Similarity 0.753 NPC314919
Intermediate Similarity 0.7518 NPC46358
Intermediate Similarity 0.7516 NPC115049
Intermediate Similarity 0.75 NPC76540
Intermediate Similarity 0.7484 NPC40070
Intermediate Similarity 0.7483 NPC169625
Intermediate Similarity 0.7483 NPC202957
Intermediate Similarity 0.7468 NPC471957
Intermediate Similarity 0.7466 NPC471322
Intermediate Similarity 0.7466 NPC324611
Intermediate Similarity 0.745 NPC65408
Intermediate Similarity 0.7432 NPC198988
Intermediate Similarity 0.7423 NPC116961
Intermediate Similarity 0.7421 NPC206819
Intermediate Similarity 0.7421 NPC318065
Intermediate Similarity 0.7421 NPC41257
Intermediate Similarity 0.7391 NPC90723
Intermediate Similarity 0.7375 NPC122141
Intermediate Similarity 0.7375 NPC470204
Intermediate Similarity 0.7372 NPC105818
Intermediate Similarity 0.7372 NPC24678
Intermediate Similarity 0.7368 NPC473868
Intermediate Similarity 0.7368 NPC63157
Intermediate Similarity 0.7358 NPC469897
Intermediate Similarity 0.7358 NPC216643
Intermediate Similarity 0.7358 NPC286427
Intermediate Similarity 0.7358 NPC236711
Intermediate Similarity 0.7355 NPC21605
Intermediate Similarity 0.7355 NPC470111
Intermediate Similarity 0.7353 NPC235843
Intermediate Similarity 0.7351 NPC316811
Intermediate Similarity 0.7347 NPC256893
Intermediate Similarity 0.7338 NPC86288
Intermediate Similarity 0.7333 NPC314102
Intermediate Similarity 0.7333 NPC251722
Intermediate Similarity 0.7333 NPC150259
Intermediate Similarity 0.7329 NPC470203
Intermediate Similarity 0.7325 NPC470823
Intermediate Similarity 0.7325 NPC216713
Intermediate Similarity 0.7303 NPC59084
Intermediate Similarity 0.7284 NPC317105
Intermediate Similarity 0.7279 NPC22079
Intermediate Similarity 0.7278 NPC73952
Intermediate Similarity 0.7278 NPC469786
Intermediate Similarity 0.7278 NPC259644
Intermediate Similarity 0.7278 NPC469765
Intermediate Similarity 0.7278 NPC200214
Intermediate Similarity 0.7278 NPC141926
Intermediate Similarity 0.7278 NPC25008
Intermediate Similarity 0.7278 NPC469760
Intermediate Similarity 0.7278 NPC469763
Intermediate Similarity 0.7267 NPC215584
Intermediate Similarity 0.7267 NPC44773
Intermediate Similarity 0.7267 NPC218268
Intermediate Similarity 0.7267 NPC279918
Intermediate Similarity 0.725 NPC193740
Intermediate Similarity 0.725 NPC167635
Intermediate Similarity 0.7246 NPC280852
Intermediate Similarity 0.7235 NPC83381
Intermediate Similarity 0.7233 NPC80597
Intermediate Similarity 0.7233 NPC211572
Intermediate Similarity 0.7233 NPC34844
Intermediate Similarity 0.7233 NPC75540
Intermediate Similarity 0.7233 NPC70922
Intermediate Similarity 0.7233 NPC212376
Intermediate Similarity 0.7226 NPC204141
Intermediate Similarity 0.7222 NPC282231
Intermediate Similarity 0.7222 NPC225018
Intermediate Similarity 0.7208 NPC20144
Intermediate Similarity 0.7205 NPC135141
Intermediate Similarity 0.7205 NPC92796
Intermediate Similarity 0.72 NPC315617
Intermediate Similarity 0.72 NPC316359
Intermediate Similarity 0.7195 NPC49954
Intermediate Similarity 0.7195 NPC474561
Intermediate Similarity 0.7192 NPC471311
Intermediate Similarity 0.7192 NPC471313
Intermediate Similarity 0.719 NPC2949
Intermediate Similarity 0.719 NPC115611
Intermediate Similarity 0.7188 NPC469785
Intermediate Similarity 0.7178 NPC78375
Intermediate Similarity 0.7178 NPC469813
Intermediate Similarity 0.7178 NPC476446
Intermediate Similarity 0.7176 NPC83987
Intermediate Similarity 0.7171 NPC169433
Intermediate Similarity 0.7143 NPC476566
Intermediate Similarity 0.7143 NPC469762
Intermediate Similarity 0.7143 NPC474958
Intermediate Similarity 0.7134 NPC274229
Intermediate Similarity 0.7125 NPC476219
Intermediate Similarity 0.7125 NPC229055
Intermediate Similarity 0.7123 NPC250361
Intermediate Similarity 0.7111 NPC231655
Intermediate Similarity 0.7108 NPC194411
Intermediate Similarity 0.7105 NPC125746
Intermediate Similarity 0.7102 NPC316018
Intermediate Similarity 0.7102 NPC314058
Intermediate Similarity 0.7099 NPC474880
Intermediate Similarity 0.7099 NPC475990
Intermediate Similarity 0.7099 NPC221786
Intermediate Similarity 0.7091 NPC54988
Intermediate Similarity 0.7091 NPC160105
Intermediate Similarity 0.707 NPC316069
Intermediate Similarity 0.7066 NPC201634
Intermediate Similarity 0.7063 NPC138842
Intermediate Similarity 0.7055 NPC131718
Intermediate Similarity 0.7048 NPC63751
Intermediate Similarity 0.7047 NPC475428
Intermediate Similarity 0.7044 NPC33421
Intermediate Similarity 0.703 NPC280864
Intermediate Similarity 0.703 NPC17751
Intermediate Similarity 0.7027 NPC473762
Intermediate Similarity 0.7006 NPC470440
Intermediate Similarity 0.7006 NPC285731
Intermediate Similarity 0.7006 NPC97343
Intermediate Similarity 0.7006 NPC467188
Remote Similarity 0.6994 NPC230869
Remote Similarity 0.6982 NPC37423
Remote Similarity 0.6982 NPC275305
Remote Similarity 0.6982 NPC471579
Remote Similarity 0.698 NPC473587
Remote Similarity 0.6975 NPC51054
Remote Similarity 0.697 NPC311276
Remote Similarity 0.697 NPC478184
Remote Similarity 0.6966 NPC41174
Remote Similarity 0.6964 NPC82331
Remote Similarity 0.6951 NPC229173
Remote Similarity 0.695 NPC84268
Remote Similarity 0.6946 NPC201700
Remote Similarity 0.6933 NPC129721
Remote Similarity 0.6923 NPC477611
Remote Similarity 0.6923 NPC314603
Remote Similarity 0.6918 NPC105811
Remote Similarity 0.6914 NPC476297
Remote Similarity 0.6914 NPC477815
Remote Similarity 0.6903 NPC104483

Drug Structure

External Identifiers

TTD   DNC007086
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   45263462
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  222.09
ALogP  -0.902
MLogP  2.45
XLogP  2.502
HDA  2
HBD  1
Rotatable Bonds  2
TPSA  24.92
RO5 Violation  0