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CHEMBRIDGE-ZINC00273687

 MMsINC code: MMs00599836
Type: Neutral
Formula: C14H10Cl2N2O2
SMILES:   Clc1cccc(Cl)c1\C=N\NC(=O)c1ccccc1O
InChI:   InChI=1/C14H10Cl2N2O2/c15-11-5-3-6-12(16)10(11)8-17-18-14(20)9-4-1-2-7-13(9)19/h1-8,19H,(H,18,20)/b17-8+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.9449 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.152 g/mol  logS: -4.64478  SlogP: 3.4629  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00125297  Sterimol/B1: 2.14596  Sterimol/B2: 2.18593  Sterimol/B3: 3.418
  Sterimol/B4: 5.85264  Sterimol/L: 16.4233 
 
 Surface and Volume Properties
  Accessible surface: 509.65  Positive charged surface: 237.364  Negative charged surface: 272.286  Volume: 261.875
  Hydrophobic surface: 410.264  Hydrophilic surface: 99.386
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.