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PUBCHEM-ZINC06185682

 MMsINC code: MMs03586735
Type: Ionized
Formula: C6H10O4P-
SMILES:   P1(OC2C(CCC2)CO1)(=O)[O-]
InChI:   InChI=1/C6H11O4P/c7-11(8)9-4-5-2-1-3-6(5)10-11/h5-6H,1-4H2,(H,7,8)/p-1/t5-,6-/m1/s1

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Potential Energy
Epot(MMFF94)=-13.1869 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 177.116 g/mol  logS: -0.5716  SlogP: -0.3999  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.309934  Sterimol/B1: 3.18539  Sterimol/B2: 3.56168  Sterimol/B3: 3.56551
  Sterimol/B4: 3.89574  Sterimol/L: 9.21816 
 
 Surface and Volume Properties
  Accessible surface: 322.559  Positive charged surface: 200.974  Negative charged surface: 121.585  Volume: 143.125
  Hydrophobic surface: 214.4  Hydrophilic surface: 108.159
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 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:


MMs03586734
PUBCHEM-ZINC06185682