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NCID-ZINC01570714

 MMsINC code: MMs02230984
Type: Neutral
Formula: C5H10FNO2
SMILES:   FCCNC(OCC)=O
InChI:   InChI=1/C5H10FNO2/c1-2-9-5(8)7-4-3-6/h2-4H2,1H3,(H,7,8)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-7.28579 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 135.138 g/mol  logS: -0.49083  SlogP: 0.702  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0396967  Sterimol/B1: 2.11335  Sterimol/B2: 2.37482  Sterimol/B3: 2.37584
  Sterimol/B4: 3.84882  Sterimol/L: 12.3006 
 
 Surface and Volume Properties
  Accessible surface: 329.732  Positive charged surface: 236.812  Negative charged surface: 92.9195  Volume: 124.5
  Hydrophobic surface: 202.689  Hydrophilic surface: 127.043
 
 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.