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PUBCHEM-ZINC02583796

 MMsINC code: MMs02904464
Type: Neutral
Formula: C5H8FNO2
SMILES:   FC1CC(NC1)C(O)=O
InChI:   InChI=1/C5H8FNO2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2H2,(H,8,9)/t3-,4+/m0/s1

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Potential Energy
Epot(MMFF94)=28.7167 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 133.122 g/mol  logS: -0.02762  SlogP: 0.1909  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159489  Sterimol/B1: 2.33912  Sterimol/B2: 2.65553  Sterimol/B3: 3.11536
  Sterimol/B4: 4.53153  Sterimol/L: 8.9094 
 
 Surface and Volume Properties
  Accessible surface: 289.535  Positive charged surface: 192.526  Negative charged surface: 97.0083  Volume: 115.375
  Hydrophobic surface: 128.198  Hydrophilic surface: 161.337
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02904465
PUBCHEM-ZINC02583796