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PUBCHEM-ZINC02048484

 MMsINC code: MMs02865807
Type: Neutral
Formula: C7H11FN2O4
SMILES:   FCC(=O)NC(CCC(=O)N)C(O)=O
InChI:   InChI=1/C7H11FN2O4/c8-3-6(12)10-4(7(13)14)1-2-5(9)11/h4H,1-3H2,(H2,9,11)(H,10,12)(H,13,14)/t4-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.5007 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.173 g/mol  logS: -0.44489  SlogP: -1.2092  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0891369  Sterimol/B1: 2.5748  Sterimol/B2: 3.37436  Sterimol/B3: 4.52554
  Sterimol/B4: 5.20633  Sterimol/L: 11.7147 
 
 Surface and Volume Properties
  Accessible surface: 395.541  Positive charged surface: 245.052  Negative charged surface: 150.489  Volume: 172.375
  Hydrophobic surface: 102.922  Hydrophilic surface: 292.619
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02865808
PUBCHEM-ZINC02048484