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MAYBRIDGE-ZINC00139911

 MMsINC code: MMs02139235
Type: Neutral
Formula: C10H8Cl2N2O
SMILES:   Clc1cc(Cl)cc(-c2n(ncc2)C)c1O
InChI:   InChI=1/C10H8Cl2N2O/c1-14-9(2-3-13-14)7-4-6(11)5-8(12)10(7)15/h2-5,15H,1H3

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Potential Energy
Epot(MMFF94)=46.6048 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.093 g/mol  logS: -3.21674  SlogP: 3.4587  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.099775  Sterimol/B1: 2.34911  Sterimol/B2: 2.76671  Sterimol/B3: 4.03234
  Sterimol/B4: 6.21694  Sterimol/L: 11.0946 
 
 Surface and Volume Properties
  Accessible surface: 413.506  Positive charged surface: 201.122  Negative charged surface: 212.384  Volume: 202.75
  Hydrophobic surface: 356.748  Hydrophilic surface: 56.758
 
 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.