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APOLLO-ZINC02530822

 MMsINC code: MMs00052985
Type: Neutral
Formula: C6HClF4O
SMILES:   Clc1c(F)c(F)c(O)c(F)c1F
InChI:   InChI=1/C6HClF4O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H

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Potential Energy
Epot(MMFF94)=29.2438 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.518 g/mol  logS: -2.93714  SlogP: 2.602  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0135798  Sterimol/B1: 2.097  Sterimol/B2: 2.3358  Sterimol/B3: 3.86831
  Sterimol/B4: 3.86844  Sterimol/L: 9.67914 
 
 Surface and Volume Properties
  Accessible surface: 302.826  Positive charged surface: 92.9786  Negative charged surface: 209.847  Volume: 125.375
  Hydrophobic surface: 253.024  Hydrophilic surface: 49.802
 
 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.