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PUBCHEM-ZINC06882677

 MMsINC code: MMs03886613
Type: Neutral
Formula: C10H16FNO4
SMILES:   FC1CC(N(C1)C(OC(C)(C)C)=O)C(O)=O
InChI:   InChI=1/C10H16FNO4/c1-10(2,3)16-9(15)12-5-6(11)4-7(12)8(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)/t6-,7+/m0/s1

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Potential Energy
Epot(MMFF94)=36.9437 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.239 g/mol  logS: -1.38571  SlogP: 1.8384  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126751  Sterimol/B1: 2.01742  Sterimol/B2: 4.1154  Sterimol/B3: 4.74063
  Sterimol/B4: 4.79022  Sterimol/L: 11.8079 
 
 Surface and Volume Properties
  Accessible surface: 437.169  Positive charged surface: 290.458  Negative charged surface: 146.711  Volume: 209.875
  Hydrophobic surface: 248.407  Hydrophilic surface: 188.762
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03886614
PUBCHEM-ZINC06882677