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PUBCHEM-ZINC05113919

 MMsINC code: MMs03202007
Type: Neutral
Formula: C6H10FNO4
SMILES:   FCC(N)(CCC(O)=O)C(O)=O
InChI:   InChI=1/C6H10FNO4/c7-3-6(8,5(11)12)2-1-4(9)10/h1-3,8H2,(H,9,10)(H,11,12)/t6-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.3685 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 179.147 g/mol  logS: 0.31904  SlogP: -0.3972  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.194473  Sterimol/B1: 3.24773  Sterimol/B2: 3.33478  Sterimol/B3: 3.71021
  Sterimol/B4: 3.80747  Sterimol/L: 11.4182 
 
 Surface and Volume Properties
  Accessible surface: 339.854  Positive charged surface: 203.227  Negative charged surface: 136.627  Volume: 146.125
  Hydrophobic surface: 85.4988  Hydrophilic surface: 254.3552
 
 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


MMs03202008
PUBCHEM-ZINC05113919