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PUBCHEM-ZINC06760895

 MMsINC code: MMs03854158
Type: Neutral
Formula: C10H10N2
SMILES:   N\1C=CC=C/C/1=C/1\NC=CC=C\1
InChI:   InChI=1/C10H10N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8,11-12H/b10-9-

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Potential Energy
Epot(MMFF94)=59.5798 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.204 g/mol  logS: -1.6158  SlogP: 1.5442  Reactive groups: 0
 
 Topological Properties
  Globularity: 7.82092e-07  Sterimol/B1: 2.09778  Sterimol/B2: 2.09799  Sterimol/B3: 2.43801
  Sterimol/B4: 4.85481  Sterimol/L: 12.0628 
 
 Surface and Volume Properties
  Accessible surface: 354.603  Positive charged surface: 192.956  Negative charged surface: 161.647  Volume: 167.375
  Hydrophobic surface: 322.827  Hydrophilic surface: 31.776
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  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.