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PUBCHEM-ZINC03161501

 MMsINC code: MMs03003523
Type: Neutral
Formula: C10H21O4P
SMILES:   P(OC(C)C)(OC(C)C)(=O)C(=O)C(C)C
InChI:   InChI=1/C10H21O4P/c1-7(2)10(11)15(12,13-8(3)4)14-9(5)6/h7-9H,1-6H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.7829 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.248 g/mol  logS: -1.71843  SlogP: 2.1419  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.212812  Sterimol/B1: 2.20582  Sterimol/B2: 3.68056  Sterimol/B3: 3.85137
  Sterimol/B4: 8.64394  Sterimol/L: 11.369 
 
 Surface and Volume Properties
  Accessible surface: 471.535  Positive charged surface: 306.238  Negative charged surface: 165.297  Volume: 238.25
  Hydrophobic surface: 302.827  Hydrophilic surface: 168.708
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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: no related molecules available.