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PUBCHEM-ZINC04544578

 MMsINC code: MMs03131723
Type: Ionized
Formula: C6H10FO5-
SMILES:   FC1OC(CO)C(O)C(O)C1[O-]
InChI:   InChI=1/C6H10FO5/c7-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-10H,1H2/q-1/t2-,3+,4-,5-,6+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.1848 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.139 g/mol  logS: 0.6522  SlogP: -1.3861  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.266266  Sterimol/B1: 3.236  Sterimol/B2: 3.28211  Sterimol/B3: 3.28327
  Sterimol/B4: 4.11031  Sterimol/L: 10.1047 
 
 Surface and Volume Properties
  Accessible surface: 316.526  Positive charged surface: 188.173  Negative charged surface: 128.354  Volume: 139.625
  Hydrophobic surface: 134.242  Hydrophilic surface: 182.284
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 1  Basic groups: 0
  Chiral centers: 5
 
 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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Parent related molecule:


MMs03131722
PUBCHEM-ZINC04544578