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MDPI-ZINC03845783

 MMsINC code: MMs02179121
Type: Neutral
Formula: C14H14N2O
SMILES:   O=C(Cc1ccc(N)cc1)c1ccc(N)cc1
InChI:   InChI=1/C14H14N2O/c15-12-5-1-10(2-6-12)9-14(17)11-3-7-13(16)8-4-11/h1-8H,9,15-16H2

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Potential Energy
Epot(MMFF94)=69.5872 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.279 g/mol  logS: -2.96092  SlogP: 2.27637  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0573428  Sterimol/B1: 2.42314  Sterimol/B2: 3.16515  Sterimol/B3: 4.24071
  Sterimol/B4: 4.82359  Sterimol/L: 15.8307 
 
 Surface and Volume Properties
  Accessible surface: 463.608  Positive charged surface: 292.243  Negative charged surface: 171.365  Volume: 231.125
  Hydrophobic surface: 311.449  Hydrophilic surface: 152.159
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.