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APOLLO-ZINC00152827

 MMsINC code: MMs00043829
Type: Neutral
Formula: C14H10Cl3NO2
SMILES:   Clc1cc(Cl)ccc1Oc1ccccc1NC(=O)CCl
InChI:   InChI=1/C14H10Cl3NO2/c15-8-14(19)18-11-3-1-2-4-13(11)20-12-6-5-9(16)7-10(12)17/h1-7H,8H2,(H,18,19)

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Potential Energy
Epot(MMFF94)=82.4819 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.598 g/mol  logS: -5.60354  SlogP: 4.963  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.20428  Sterimol/B1: 3.57738  Sterimol/B2: 3.58454  Sterimol/B3: 5.35359
  Sterimol/B4: 8.35619  Sterimol/L: 12.7592 
 
 Surface and Volume Properties
  Accessible surface: 524.567  Positive charged surface: 199.23  Negative charged surface: 325.337  Volume: 271.125
  Hydrophobic surface: 421.562  Hydrophilic surface: 103.005
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.