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APOLLO-ZINC02379321

 MMsINC code: MMs00051489
Type: Neutral
Formula: C4H7F2NO2
SMILES:   FC(F)(CCN)C(O)=O
InChI:   InChI=1/C4H7F2NO2/c5-4(6,1-2-7)3(8)9/h1-2,7H2,(H,8,9)

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Potential Energy
Epot(MMFF94)=19.3484 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 139.101 g/mol  logS: -0.18285  SlogP: 0.475  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0917412  Sterimol/B1: 2.55616  Sterimol/B2: 2.70051  Sterimol/B3: 2.71797
  Sterimol/B4: 3.30743  Sterimol/L: 10.3288 
 
 Surface and Volume Properties
  Accessible surface: 289.676  Positive charged surface: 167.777  Negative charged surface: 121.899  Volume: 108.5
  Hydrophobic surface: 68.9856  Hydrophilic surface: 220.6904
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.