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APOLLO-ZINC00163605

 MMsINC code: MMs00047233
Type: Neutral
Formula: C13H10Cl2N2O2
SMILES:   Clc1ccc(Oc2ncccc2NC(=O)CCl)cc1
InChI:   InChI=1/C13H10Cl2N2O2/c14-8-12(18)17-11-2-1-7-16-13(11)19-10-5-3-9(15)4-6-10/h1-7H,8H2,(H,17,18)

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Potential Energy
Epot(MMFF94)=85.7118 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.141 g/mol  logS: -3.92237  SlogP: 3.7046  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0794037  Sterimol/B1: 2.44991  Sterimol/B2: 3.21773  Sterimol/B3: 3.79017
  Sterimol/B4: 7.16494  Sterimol/L: 16.4632 
 
 Surface and Volume Properties
  Accessible surface: 513.342  Positive charged surface: 256.141  Negative charged surface: 257.201  Volume: 251.25
  Hydrophobic surface: 391.28  Hydrophilic surface: 122.062
 
 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.