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AURORAFEINCHEMIE-ZINC06666392

 MMsINC code: MMs00478763
Type: Neutral
Formula: C16H12N2O2
SMILES:   O(C1=CC(=O)NN=C1c1ccccc1)c1ccccc1
InChI:   InChI=1/C16H12N2O2/c19-15-11-14(20-13-9-5-2-6-10-13)16(18-17-15)12-7-3-1-4-8-12/h1-11H,(H,17,19)

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Potential Energy
Epot(MMFF94)=103.271 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.284 g/mol  logS: -4.54245  SlogP: 2.4834  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.257514  Sterimol/B1: 2.44136  Sterimol/B2: 3.26365  Sterimol/B3: 4.70714
  Sterimol/B4: 7.20715  Sterimol/L: 11.9448 
 
 Surface and Volume Properties
  Accessible surface: 457.713  Positive charged surface: 258.943  Negative charged surface: 198.77  Volume: 248.75
  Hydrophobic surface: 356.505  Hydrophilic surface: 101.208
 
 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.