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PUBCHEM-ZINC02048485

 MMsINC code: MMs02865809
Type: Neutral
Formula: C7H10FNO5
SMILES:   FCC(=O)NC(CCC(O)=O)C(O)=O
InChI:   InChI=1/C7H10FNO5/c8-3-5(10)9-4(7(13)14)1-2-6(11)12/h4H,1-3H2,(H,9,10)(H,11,12)(H,13,14)/t4-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.125 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.157 g/mol  logS: -0.16217  SlogP: -0.6099  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0936539  Sterimol/B1: 2.57443  Sterimol/B2: 3.3278  Sterimol/B3: 4.76021
  Sterimol/B4: 4.80884  Sterimol/L: 11.7826 
 
 Surface and Volume Properties
  Accessible surface: 386.921  Positive charged surface: 226.263  Negative charged surface: 160.659  Volume: 167.375
  Hydrophobic surface: 106.693  Hydrophilic surface: 280.228
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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


MMs02865810
PUBCHEM-ZINC02048485