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PUBCHEM-ZINC05733645

 MMsINC code: MMs03364427
Type: Neutral
Formula: C11H15O3P
SMILES:   P(=O)(C(C)C)(CC(O)=O)c1ccccc1
InChI:   InChI=1/C11H15O3P/c1-9(2)15(14,8-11(12)13)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13)/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=20.3987 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.212 g/mol  logS: -1.57638  SlogP: 1.0978  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.180404  Sterimol/B1: 3.39723  Sterimol/B2: 3.50374  Sterimol/B3: 3.67997
  Sterimol/B4: 5.64894  Sterimol/L: 11.9872 
 
 Surface and Volume Properties
  Accessible surface: 423.459  Positive charged surface: 245.854  Negative charged surface: 177.605  Volume: 216.125
  Hydrophobic surface: 285.636  Hydrophilic surface: 137.823
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs03364428
PUBCHEM-ZINC05733645