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APOLLO-ZINC00166773

 MMsINC code: MMs00048164
Type: Neutral
Formula: C7H6Cl2N2O
SMILES:   Clc1cc(Cl)cc(\C=N/N)c1O
InChI:   InChI=1/C7H6Cl2N2O/c8-5-1-4(3-11-10)7(12)6(9)2-5/h1-3,12H,10H2/b11-3-

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Potential Energy
Epot(MMFF94)=85.2074 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.044 g/mol  logS: -2.67831  SlogP: 1.9916  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0359149  Sterimol/B1: 2.18546  Sterimol/B2: 2.86765  Sterimol/B3: 4.63691
  Sterimol/B4: 4.91881  Sterimol/L: 10.7283 
 
 Surface and Volume Properties
  Accessible surface: 359.051  Positive charged surface: 154.831  Negative charged surface: 204.219  Volume: 161
  Hydrophobic surface: 220.456  Hydrophilic surface: 138.595
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.