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PUBCHEM-ZINC02040622

 MMsINC code: MMs02862773
Type: Neutral
Formula: C3H6FNO
SMILES:   FC(=O)N(C)C
InChI:   InChI=1/C3H6FNO/c1-5(2)3(4)6/h1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-4.06572 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 91.085 g/mol  logS: -0.03677  SlogP: 0.6375  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147011  Sterimol/B1: 2.51241  Sterimol/B2: 2.51305  Sterimol/B3: 2.65207
  Sterimol/B4: 4.40274  Sterimol/L: 7.01015 
 
 Surface and Volume Properties
  Accessible surface: 242.831  Positive charged surface: 180.019  Negative charged surface: 62.8118  Volume: 85
  Hydrophobic surface: 156.007  Hydrophilic surface: 86.824
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.