Drug Information

Drug ID:  NPD269
Drug Name:  
Molecular Formula:  C10H14N2
Canonical SMILES:  CNCC/C=C/c1cccnc1
Standard InCHI:  InChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3/b5-2+
Standard InCHIKey:  JUOSGGQXEBBCJB-GORDUTHDSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD269

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 0.9259 NPC76540
High Similarity 0.9182 NPC27802
High Similarity 0.9068 NPC27740
High Similarity 0.8992 NPC245244
High Similarity 0.8992 NPC146373
High Similarity 0.8992 NPC166424
High Similarity 0.877 NPC89490
High Similarity 0.8704 NPC83987
High Similarity 0.8699 NPC475105
High Similarity 0.8699 NPC329896
High Similarity 0.8699 NPC475090
High Similarity 0.8684 NPC235843
High Similarity 0.8655 NPC182570
High Similarity 0.8655 NPC48564
High Similarity 0.8655 NPC265605
High Similarity 0.8632 NPC240136
High Similarity 0.8632 NPC471402
High Similarity 0.8632 NPC297486
High Similarity 0.856 NPC471322
High Similarity 0.8559 NPC91958
High Similarity 0.8512 NPC290094
Intermediate Similarity 0.8413 NPC101165
Intermediate Similarity 0.8407 NPC231655
Intermediate Similarity 0.8403 NPC143603
Intermediate Similarity 0.8333 NPC282398
Intermediate Similarity 0.8306 NPC202957
Intermediate Similarity 0.8306 NPC169625
Intermediate Similarity 0.8305 NPC84268
Intermediate Similarity 0.8293 NPC476322
Intermediate Similarity 0.824 NPC471311
Intermediate Similarity 0.824 NPC471313
Intermediate Similarity 0.8095 NPC212125
Intermediate Similarity 0.8095 NPC306397
Intermediate Similarity 0.8092 NPC84911
Intermediate Similarity 0.8065 NPC46358
Intermediate Similarity 0.8015 NPC261195
Intermediate Similarity 0.8015 NPC96102
Intermediate Similarity 0.8015 NPC29886
Intermediate Similarity 0.7985 NPC476454
Intermediate Similarity 0.7984 NPC329825
Intermediate Similarity 0.7984 NPC82295
Intermediate Similarity 0.7983 NPC473901
Intermediate Similarity 0.797 NPC110126
Intermediate Similarity 0.797 NPC73767
Intermediate Similarity 0.7969 NPC476131
Intermediate Similarity 0.7955 NPC105127
Intermediate Similarity 0.791 NPC469784
Intermediate Similarity 0.791 NPC469783
Intermediate Similarity 0.791 NPC469767
Intermediate Similarity 0.791 NPC469780
Intermediate Similarity 0.791 NPC469768
Intermediate Similarity 0.791 NPC469761
Intermediate Similarity 0.791 NPC469779
Intermediate Similarity 0.7907 NPC69914
Intermediate Similarity 0.7852 NPC469766
Intermediate Similarity 0.7846 NPC324611
Intermediate Similarity 0.7794 NPC190296
Intermediate Similarity 0.7778 NPC279081
Intermediate Similarity 0.777 NPC321911
Intermediate Similarity 0.771 NPC256893
Intermediate Similarity 0.7698 NPC179787
Intermediate Similarity 0.7698 NPC469811
Intermediate Similarity 0.7698 NPC201380
Intermediate Similarity 0.7687 NPC471312
Intermediate Similarity 0.7687 NPC314102
Intermediate Similarity 0.7687 NPC65408
Intermediate Similarity 0.7687 NPC251722
Intermediate Similarity 0.7681 NPC467188
Intermediate Similarity 0.7681 NPC314372
Intermediate Similarity 0.7674 NPC165370
Intermediate Similarity 0.7652 NPC330326
Intermediate Similarity 0.7647 NPC230002
Intermediate Similarity 0.7634 NPC315320
Intermediate Similarity 0.7626 NPC63545
Intermediate Similarity 0.7615 NPC471589
Intermediate Similarity 0.7612 NPC29702
Intermediate Similarity 0.76 NPC11863
Intermediate Similarity 0.7574 NPC316811
Intermediate Similarity 0.7574 NPC315348
Intermediate Similarity 0.7574 NPC32002
Intermediate Similarity 0.7571 NPC105811
Intermediate Similarity 0.7571 NPC471957
Intermediate Similarity 0.7559 NPC56856
Intermediate Similarity 0.7554 NPC159856
Intermediate Similarity 0.7544 NPC213774
Intermediate Similarity 0.7535 NPC470233
Intermediate Similarity 0.75 NPC143872
Intermediate Similarity 0.75 NPC476464
Intermediate Similarity 0.75 NPC288838
Intermediate Similarity 0.7483 NPC325903
Intermediate Similarity 0.7481 NPC325252
Intermediate Similarity 0.7465 NPC24678
Intermediate Similarity 0.7465 NPC53947
Intermediate Similarity 0.7465 NPC105818
Intermediate Similarity 0.7462 NPC135488
Intermediate Similarity 0.7448 NPC469897
Intermediate Similarity 0.7426 NPC150259
Intermediate Similarity 0.7413 NPC470823
Intermediate Similarity 0.7407 NPC198988
Intermediate Similarity 0.7397 NPC56765
Intermediate Similarity 0.7388 NPC322488
Intermediate Similarity 0.7372 NPC104049
Intermediate Similarity 0.7372 NPC169433
Intermediate Similarity 0.7361 NPC469786
Intermediate Similarity 0.7361 NPC469765
Intermediate Similarity 0.7361 NPC469760
Intermediate Similarity 0.7361 NPC73952
Intermediate Similarity 0.7361 NPC469763
Intermediate Similarity 0.7361 NPC200214
Intermediate Similarity 0.7361 NPC259644
Intermediate Similarity 0.7361 NPC141926
Intermediate Similarity 0.7361 NPC25008
Intermediate Similarity 0.736 NPC148140
Intermediate Similarity 0.7357 NPC471323
Intermediate Similarity 0.7329 NPC236711
Intermediate Similarity 0.731 NPC209362
Intermediate Similarity 0.731 NPC211572
Intermediate Similarity 0.731 NPC70922
Intermediate Similarity 0.731 NPC34844
Intermediate Similarity 0.731 NPC212376
Intermediate Similarity 0.731 NPC80597
Intermediate Similarity 0.731 NPC75540
Intermediate Similarity 0.7302 NPC81561
Intermediate Similarity 0.7292 NPC216713
Intermediate Similarity 0.7287 NPC41174
Intermediate Similarity 0.7254 NPC316069
Intermediate Similarity 0.7248 NPC90723
Intermediate Similarity 0.7241 NPC251391
Intermediate Similarity 0.7239 NPC22079
Intermediate Similarity 0.723 NPC44773
Intermediate Similarity 0.723 NPC215584
Intermediate Similarity 0.723 NPC470204
Intermediate Similarity 0.723 NPC122141
Intermediate Similarity 0.7222 NPC476566
Intermediate Similarity 0.7211 NPC286427
Intermediate Similarity 0.7211 NPC213914
Intermediate Similarity 0.7203 NPC470111
Intermediate Similarity 0.7192 NPC229055
Intermediate Similarity 0.7183 NPC86288
Intermediate Similarity 0.7181 NPC470203
Intermediate Similarity 0.7174 NPC125746
Intermediate Similarity 0.7172 NPC70406
Intermediate Similarity 0.7162 NPC318065
Intermediate Similarity 0.7162 NPC41257
Intermediate Similarity 0.7162 NPC206819
Intermediate Similarity 0.7143 NPC74357
Intermediate Similarity 0.7143 NPC2949
Intermediate Similarity 0.7143 NPC469785
Intermediate Similarity 0.7143 NPC115611
Intermediate Similarity 0.7143 NPC59084
Intermediate Similarity 0.7133 NPC317105
Intermediate Similarity 0.7132 NPC215519
Intermediate Similarity 0.7121 NPC151489
Intermediate Similarity 0.7109 NPC54102
Intermediate Similarity 0.7109 NPC162689
Intermediate Similarity 0.7105 NPC196580
Intermediate Similarity 0.7103 NPC40070
Intermediate Similarity 0.7101 NPC218268
Intermediate Similarity 0.7095 NPC216643
Intermediate Similarity 0.7095 NPC167635
Intermediate Similarity 0.7095 NPC469762
Intermediate Similarity 0.7095 NPC193740
Intermediate Similarity 0.7092 NPC63157
Intermediate Similarity 0.7092 NPC473868
Intermediate Similarity 0.7083 NPC477974
Intermediate Similarity 0.7075 NPC477815
Intermediate Similarity 0.7071 NPC88097
Intermediate Similarity 0.7067 NPC225018
Intermediate Similarity 0.7067 NPC282231
Intermediate Similarity 0.7063 NPC285731
Intermediate Similarity 0.705 NPC114310
Intermediate Similarity 0.7047 NPC92796
Intermediate Similarity 0.7047 NPC135141
Intermediate Similarity 0.7034 NPC123906
Intermediate Similarity 0.702 NPC311276
Intermediate Similarity 0.7013 NPC201634
Intermediate Similarity 0.7 NPC131718
Intermediate Similarity 0.7 NPC279918
Remote Similarity 0.6993 NPC230085
Remote Similarity 0.6993 NPC159630
Remote Similarity 0.6986 NPC313889
Remote Similarity 0.698 NPC138018
Remote Similarity 0.6978 NPC328029
Remote Similarity 0.6974 NPC274229
Remote Similarity 0.6963 NPC313823
Remote Similarity 0.6944 NPC204141
Remote Similarity 0.6944 NPC470440
Remote Similarity 0.694 NPC250361
Remote Similarity 0.6933 NPC230869
Remote Similarity 0.6928 NPC49954
Remote Similarity 0.6928 NPC49217
Remote Similarity 0.6928 NPC160105
Remote Similarity 0.6928 NPC474561
Remote Similarity 0.6917 NPC122718
Remote Similarity 0.6912 NPC473587
Remote Similarity 0.6908 NPC469813
Remote Similarity 0.6908 NPC78375
Remote Similarity 0.6908 NPC149265
Remote Similarity 0.6908 NPC40779
Remote Similarity 0.6908 NPC476446

Drug Structure

External Identifiers

TTD   DNC001218
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   5310967
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  162.12
ALogP  -0.1267
MLogP  2.34
XLogP  1.627
HDA  2
HBD  1
Rotatable Bonds  5
TPSA  24.92
RO5 Violation  0