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PUBCHEM-ZINC05554023

 MMsINC code: MMs03305432
Type: Neutral
Formula: C7H12FNO3
SMILES:   FC(CCCC)(C(=O)N)C(O)=O
InChI:   InChI=1/C7H12FNO3/c1-2-3-4-7(8,5(9)10)6(11)12/h2-4H2,1H3,(H2,9,10)(H,11,12)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=21.5924 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 177.175 g/mol  logS: -1.74805  SlogP: 0.8747  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11332  Sterimol/B1: 3.04134  Sterimol/B2: 3.16692  Sterimol/B3: 3.42615
  Sterimol/B4: 3.91979  Sterimol/L: 11.8958 
 
 Surface and Volume Properties
  Accessible surface: 362.944  Positive charged surface: 226.295  Negative charged surface: 136.649  Volume: 157.125
  Hydrophobic surface: 140.547  Hydrophilic surface: 222.397
 
 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


MMs03305433
PUBCHEM-ZINC05554023