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PUBCHEM-ZINC06616441

 MMsINC code: MMs03821698
Type: Neutral
Formula: C6H12FNO2
SMILES:   FC(N)(CC(C)C)C(O)=O
InChI:   InChI=1/C6H12FNO2/c1-4(2)3-6(7,8)5(9)10/h4H,3,8H2,1-2H3,(H,9,10)/t6-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.5606 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 149.165 g/mol  logS: -1.21681  SlogP: 1.1615  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142422  Sterimol/B1: 2.50701  Sterimol/B2: 2.7091  Sterimol/B3: 3.39351
  Sterimol/B4: 4.74512  Sterimol/L: 10.0982 
 
 Surface and Volume Properties
  Accessible surface: 323.125  Positive charged surface: 208.919  Negative charged surface: 114.206  Volume: 139.25
  Hydrophobic surface: 130.901  Hydrophilic surface: 192.224
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03821699
PUBCHEM-ZINC06616441