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PUBCHEM-ZINC04397975

 MMsINC code: MMs03118875
Type: Neutral
Formula: C10H12Cl2N2O
SMILES:   Clc1cc(Cl)cc(/C(=N/N(C)C)/C)c1O
InChI:   InChI=1/C10H12Cl2N2O/c1-6(13-14(2)3)8-4-7(11)5-9(12)10(8)15/h4-5,15H,1-3H3/b13-6-

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Potential Energy
Epot(MMFF94)=75.6097 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.125 g/mol  logS: -2.67142  SlogP: 2.9846  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.382063  Sterimol/B1: 2.13269  Sterimol/B2: 3.21403  Sterimol/B3: 5.05324
  Sterimol/B4: 7.98511  Sterimol/L: 11.3401 
 
 Surface and Volume Properties
  Accessible surface: 427.353  Positive charged surface: 230.558  Negative charged surface: 196.794  Volume: 218.375
  Hydrophobic surface: 383.233  Hydrophilic surface: 44.12
 
 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.