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ASINEX-ZINC05016788

 MMsINC code: MMs00436342
Type: Neutral
Formula: C15H14N4O
SMILES:   O(C)c1ccc(cc1)-c1nn(nn1)Cc1ccccc1
InChI:   InChI=1/C15H14N4O/c1-20-14-9-7-13(8-10-14)15-16-18-19(17-15)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3

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Potential Energy
Epot(MMFF94)=78.5755 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.304 g/mol  logS: -3.73341  SlogP: 2.6634  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0610029  Sterimol/B1: 3.27421  Sterimol/B2: 3.30608  Sterimol/B3: 3.98522
  Sterimol/B4: 5.6775  Sterimol/L: 16.2323 
 
 Surface and Volume Properties
  Accessible surface: 524.466  Positive charged surface: 312.737  Negative charged surface: 211.729  Volume: 261.25
  Hydrophobic surface: 443.762  Hydrophilic surface: 80.704
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.