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KEYORGANICS-ZINC01388593

 MMsINC code: MMs02098048
Type: Neutral
Formula: C16H10Cl2O2
SMILES:   Clc1cc(ccc1Cl)C(=O)c1oc2c(cccc2)c1C
InChI:   InChI=1/C16H10Cl2O2/c1-9-11-4-2-3-5-14(11)20-16(9)15(19)10-6-7-12(17)13(18)8-10/h2-8H,1H3

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Potential Energy
Epot(MMFF94)=74 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.16 g/mol  logS: -6.68499  SlogP: 5.27902  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0053368  Sterimol/B1: 1.97862  Sterimol/B2: 2.18329  Sterimol/B3: 2.51761
  Sterimol/B4: 8.25035  Sterimol/L: 15.2069 
 
 Surface and Volume Properties
  Accessible surface: 492.88  Positive charged surface: 205.602  Negative charged surface: 281.876  Volume: 263.25
  Hydrophobic surface: 466.177  Hydrophilic surface: 26.703
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.