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ASINEX-ZINC00156786

 MMsINC code: MMs00083154
Type: Neutral
Formula: C14H14N4
SMILES:   n1n(nc2cc(N)c(cc12)C)-c1ccc(cc1)C
InChI:   InChI=1/C14H14N4/c1-9-3-5-11(6-4-9)18-16-13-7-10(2)12(15)8-14(13)17-18/h3-8H,15H2,1-2H3

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Potential Energy
Epot(MMFF94)=79.8637 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.294 g/mol  logS: -3.2298  SlogP: 2.61954  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00568456  Sterimol/B1: 2.10412  Sterimol/B2: 2.51231  Sterimol/B3: 3.80808
  Sterimol/B4: 4.14835  Sterimol/L: 15.5905 
 
 Surface and Volume Properties
  Accessible surface: 476.05  Positive charged surface: 273.882  Negative charged surface: 202.168  Volume: 235.5
  Hydrophobic surface: 380.631  Hydrophilic surface: 95.419
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.