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PUBCHEM-ZINC04680308

 MMsINC code: MMs03154741
Type: Neutral
Formula: C10H10FNO4
SMILES:   Fc1ccc(NC(=O)COCC(O)=O)cc1
InChI:   InChI=1/C10H10FNO4/c11-7-1-3-8(4-2-7)12-9(13)5-16-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)

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Potential Energy
Epot(MMFF94)=60.1591 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.191 g/mol  logS: -2.02043  SlogP: 0.8654  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.019919  Sterimol/B1: 2.40042  Sterimol/B2: 2.907  Sterimol/B3: 3.10974
  Sterimol/B4: 4.65722  Sterimol/L: 15.4799 
 
 Surface and Volume Properties
  Accessible surface: 439.412  Positive charged surface: 257.575  Negative charged surface: 181.837  Volume: 192.75
  Hydrophobic surface: 280.402  Hydrophilic surface: 159.01
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs03154742
PUBCHEM-ZINC04680308