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APOLLO-ZINC02382044

 MMsINC code: MMs00051715
Type: Neutral
Formula: C10H5ClF4O2
SMILES:   Clc1cc(cc(\C=C\C(O)=O)c1F)C(F)(F)F
InChI:   InChI=1/C10H5ClF4O2/c11-7-4-6(10(13,14)15)3-5(9(7)12)1-2-8(16)17/h1-4H,(H,16,17)/b2-1+

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Potential Energy
Epot(MMFF94)=43.1177 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.593 g/mol  logS: -3.94592  SlogP: 3.9072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0153879  Sterimol/B1: 2.15599  Sterimol/B2: 2.8146  Sterimol/B3: 3.85831
  Sterimol/B4: 5.78516  Sterimol/L: 12.078 
 
 Surface and Volume Properties
  Accessible surface: 410.126  Positive charged surface: 109.975  Negative charged surface: 300.151  Volume: 191.625
  Hydrophobic surface: 206.938  Hydrophilic surface: 203.188
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00051716
APOLLO-ZINC02382044