Drug Information

Drug ID:  NPD9253
Drug Name:  FFC-14A
Molecular Formula:  C7H6N2
Canonical SMILES:  c1ccc2c(c1)[nH]nc2
Standard InCHI:  InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)
Standard InCHIKey:  BAXOFTOLAUCFNW-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD9253

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 0.7647 NPC321915
Intermediate Similarity 0.75 NPC317031
Intermediate Similarity 0.748 NPC24060
Intermediate Similarity 0.7389 NPC471579
Intermediate Similarity 0.7338 NPC82295
Intermediate Similarity 0.7324 NPC105127
Intermediate Similarity 0.7254 NPC96102
Intermediate Similarity 0.7222 NPC110126
Intermediate Similarity 0.7203 NPC84911
Intermediate Similarity 0.7133 NPC29886
Intermediate Similarity 0.7133 NPC261195
Intermediate Similarity 0.7103 NPC73767
Intermediate Similarity 0.7055 NPC469768
Intermediate Similarity 0.7055 NPC469784
Intermediate Similarity 0.7055 NPC469779
Intermediate Similarity 0.7055 NPC469767
Intermediate Similarity 0.7055 NPC469780
Intermediate Similarity 0.7055 NPC469783
Intermediate Similarity 0.7055 NPC230002
Intermediate Similarity 0.7055 NPC279081
Intermediate Similarity 0.7055 NPC469761
Intermediate Similarity 0.7007 NPC469766
Remote Similarity 0.6959 NPC190296
Remote Similarity 0.6934 NPC41174
Remote Similarity 0.6901 NPC22079
Remote Similarity 0.6867 NPC314372
Remote Similarity 0.6867 NPC159856
Remote Similarity 0.6821 NPC63545
Remote Similarity 0.6821 NPC288838
Remote Similarity 0.6821 NPC143872
Remote Similarity 0.6776 NPC179787
Remote Similarity 0.6776 NPC469811
Remote Similarity 0.6776 NPC471957
Remote Similarity 0.6776 NPC201380
Remote Similarity 0.6763 NPC46358
Remote Similarity 0.6738 NPC250361
Remote Similarity 0.6735 NPC125746
Remote Similarity 0.6732 NPC321911
Remote Similarity 0.6712 NPC198988
Remote Similarity 0.6711 NPC316069
Remote Similarity 0.6688 NPC24678
Remote Similarity 0.6688 NPC105818
Remote Similarity 0.6688 NPC53947
Remote Similarity 0.6667 NPC218268
Remote Similarity 0.6667 NPC325252
Remote Similarity 0.6645 NPC470823
Remote Similarity 0.6645 NPC216713
Remote Similarity 0.6643 NPC473762
Remote Similarity 0.6625 NPC317105
Remote Similarity 0.6622 NPC150259
Remote Similarity 0.6603 NPC469786
Remote Similarity 0.6603 NPC469763
Remote Similarity 0.6603 NPC73952
Remote Similarity 0.6603 NPC325903
Remote Similarity 0.6603 NPC141926
Remote Similarity 0.6603 NPC25008
Remote Similarity 0.6603 NPC259644
Remote Similarity 0.6603 NPC469765
Remote Similarity 0.6603 NPC200214
Remote Similarity 0.6603 NPC469760
Remote Similarity 0.66 NPC284635
Remote Similarity 0.66 NPC115611
Remote Similarity 0.66 NPC59084
Remote Similarity 0.6597 NPC473587
Remote Similarity 0.6561 NPC80597
Remote Similarity 0.6561 NPC70922
Remote Similarity 0.6561 NPC211572
Remote Similarity 0.6561 NPC212376
Remote Similarity 0.6561 NPC34844
Remote Similarity 0.6561 NPC75540
Remote Similarity 0.6556 NPC63157
Remote Similarity 0.6556 NPC473868
Remote Similarity 0.6552 NPC475428
Remote Similarity 0.6533 NPC88097
Remote Similarity 0.6519 NPC469785
Remote Similarity 0.6507 NPC179365
Remote Similarity 0.6507 NPC475450
Remote Similarity 0.649 NPC2949
Remote Similarity 0.6479 NPC27740
Remote Similarity 0.6478 NPC286427
Remote Similarity 0.6478 NPC469762
Remote Similarity 0.6478 NPC216643
Remote Similarity 0.6478 NPC236711
Remote Similarity 0.6463 NPC473930
Remote Similarity 0.6438 NPC206819
Remote Similarity 0.6438 NPC56765
Remote Similarity 0.6438 NPC92796
Remote Similarity 0.6438 NPC41257
Remote Similarity 0.6438 NPC135141
Remote Similarity 0.6438 NPC318065
Remote Similarity 0.6433 NPC470233
Remote Similarity 0.6429 NPC285731
Remote Similarity 0.6398 NPC122141
Remote Similarity 0.6398 NPC470204
Remote Similarity 0.6398 NPC131718
Remote Similarity 0.6398 NPC279918
Remote Similarity 0.6398 NPC215584
Remote Similarity 0.6398 NPC44773
Remote Similarity 0.6364 NPC262295
Remote Similarity 0.6358 NPC282231
Remote Similarity 0.6358 NPC470203
Remote Similarity 0.6346 NPC21605
Remote Similarity 0.6335 NPC230869
Remote Similarity 0.6327 NPC282398
Remote Similarity 0.6323 NPC470440
Remote Similarity 0.6323 NPC204141
Remote Similarity 0.6319 NPC311276
Remote Similarity 0.6319 NPC90723
Remote Similarity 0.6312 NPC476464
Remote Similarity 0.6291 NPC314102
Remote Similarity 0.6291 NPC251722
Remote Similarity 0.628 NPC17751
Remote Similarity 0.628 NPC280864
Remote Similarity 0.628 NPC274229
Remote Similarity 0.6268 NPC182570
Remote Similarity 0.6268 NPC265605
Remote Similarity 0.6268 NPC48564
Remote Similarity 0.6266 NPC148592
Remote Similarity 0.6266 NPC40070
Remote Similarity 0.6259 NPC148140
Remote Similarity 0.6242 NPC470111
Remote Similarity 0.6242 NPC160105
Remote Similarity 0.6242 NPC49217
Remote Similarity 0.6242 NPC474561
Remote Similarity 0.6242 NPC54988
Remote Similarity 0.6242 NPC49954
Remote Similarity 0.6228 NPC82331
Remote Similarity 0.622 NPC149265
Remote Similarity 0.622 NPC102423
Remote Similarity 0.622 NPC40779
Remote Similarity 0.6218 NPC86288
Remote Similarity 0.6214 NPC81561
Remote Similarity 0.6209 NPC312092
Remote Similarity 0.6205 NPC63751
Remote Similarity 0.6203 NPC37548
Remote Similarity 0.6203 NPC2272
Remote Similarity 0.6199 NPC164228
Remote Similarity 0.6194 NPC477890
Remote Similarity 0.619 NPC477611
Remote Similarity 0.6188 NPC232798
Remote Similarity 0.6182 NPC42372
Remote Similarity 0.6173 NPC316910
Remote Similarity 0.617 NPC54102
Remote Similarity 0.617 NPC162689
Remote Similarity 0.6168 NPC97343
Remote Similarity 0.6168 NPC194411
Remote Similarity 0.6164 NPC33421
Remote Similarity 0.6163 NPC233936
Remote Similarity 0.6154 NPC242556
Remote Similarity 0.6144 NPC169433
Remote Similarity 0.6131 NPC470498
Remote Similarity 0.6121 NPC478184
Remote Similarity 0.6118 NPC474958
Remote Similarity 0.6108 NPC201700
Remote Similarity 0.6108 NPC78020
Remote Similarity 0.6096 NPC245244
Remote Similarity 0.6096 NPC146373
Remote Similarity 0.6096 NPC166424
Remote Similarity 0.6095 NPC314603
Remote Similarity 0.6084 NPC215519
Remote Similarity 0.608 NPC92689
Remote Similarity 0.6074 NPC164802
Remote Similarity 0.6074 NPC302790
Remote Similarity 0.6061 NPC225018
Remote Similarity 0.6059 NPC149155
Remote Similarity 0.6059 NPC110500
Remote Similarity 0.6059 NPC203468
Remote Similarity 0.6059 NPC37423
Remote Similarity 0.6059 NPC275305
Remote Similarity 0.6056 NPC91958
Remote Similarity 0.6056 NPC143603
Remote Similarity 0.6049 NPC470507
Remote Similarity 0.6049 NPC38736
Remote Similarity 0.6038 NPC477134
Remote Similarity 0.6024 NPC194640
Remote Similarity 0.6023 NPC280852
Remote Similarity 0.6023 NPC267885
Remote Similarity 0.6012 NPC285469
Remote Similarity 0.6012 NPC141353
Remote Similarity 0.6012 NPC51054
Remote Similarity 0.6 NPC187951
Remote Similarity 0.6 NPC313791
Remote Similarity 0.6 NPC124005
Remote Similarity 0.6 NPC104483
Remote Similarity 0.5989 NPC317030
Remote Similarity 0.5988 NPC14113
Remote Similarity 0.5988 NPC68354
Remote Similarity 0.5988 NPC473380
Remote Similarity 0.5988 NPC138842
Remote Similarity 0.5988 NPC248454
Remote Similarity 0.5988 NPC84827
Remote Similarity 0.5988 NPC145885
Remote Similarity 0.5988 NPC240088
Remote Similarity 0.5988 NPC59269
Remote Similarity 0.5988 NPC284775
Remote Similarity 0.5987 NPC20144
Remote Similarity 0.5984 NPC108800
Remote Similarity 0.5976 NPC477887
Remote Similarity 0.5971 NPC187036
Remote Similarity 0.5965 NPC280297

Drug Structure

External Identifiers

TTD   DIB004540; DNCL002173
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   25134754
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  118.05
ALogP  -0.4204
MLogP  2.01
XLogP  2.249
HDA  2
HBD  1
Rotatable Bonds  0
TPSA  28.68
RO5 Violation  0