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CHEMBLOCK-ZINC00267647

 MMsINC code: MMs00503587
Type: Neutral
Formula: C14H10Cl2N2O2
SMILES:   Clc1cc(ccc1Cl)\C=N\NC(=O)c1ccccc1O
InChI:   InChI=1/C14H10Cl2N2O2/c15-11-6-5-9(7-12(11)16)8-17-18-14(20)10-3-1-2-4-13(10)19/h1-8,19H,(H,18,20)/b17-8+

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Potential Energy
Epot(MMFF94)=88.019 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: 0.00121239  Sterimol/B1: 2.14386  Sterimol/B2: 2.18883  Sterimol/B3: 2.53334
  Sterimol/B4: 6.6031  Sterimol/L: 17.6399 
 
 Surface and Volume Properties
  Accessible surface: 526.975  Positive charged surface: 231.494  Negative charged surface: 295.481  Volume: 262.875
  Hydrophobic surface: 415.334  Hydrophilic surface: 111.641
 
 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.