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PUBCHEM-ZINC04691377

 MMsINC code: MMs03157873
Type: Neutral
Formula: C14H10Cl2N2O2
SMILES:   Clc1cc(cc(Cl)c1O)\C=N\NC(=O)c1ccccc1
InChI:   InChI=1/C14H10Cl2N2O2/c15-11-6-9(7-12(16)13(11)19)8-17-18-14(20)10-4-2-1-3-5-10/h1-8,19H,(H,18,20)/b17-8+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.5406 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: 0.00117285  Sterimol/B1: 2.097  Sterimol/B2: 2.23275  Sterimol/B3: 3.96114
  Sterimol/B4: 5.35846  Sterimol/L: 17.0518 
 
 Surface and Volume Properties
  Accessible surface: 530.382  Positive charged surface: 227.417  Negative charged surface: 302.965  Volume: 263.5
  Hydrophobic surface: 416.103  Hydrophilic surface: 114.279
 
 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.