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IBS-ZINC02440253

 MMsINC code: MMs01865182
Type: Neutral
Formula: C11H17O3P
SMILES:   P(O)(=O)(C(O)(C)C)CCc1ccccc1
InChI:   InChI=1/C11H17O3P/c1-11(2,12)15(13,14)9-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3,(H,13,14)

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Potential Energy
Epot(MMFF94)=44.4982 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.228 g/mol  logS: -1.34885  SlogP: 1.15767  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0886066  Sterimol/B1: 3.59074  Sterimol/B2: 3.66426  Sterimol/B3: 3.71938
  Sterimol/B4: 3.88145  Sterimol/L: 13.9691 
 
 Surface and Volume Properties
  Accessible surface: 450.275  Positive charged surface: 259.273  Negative charged surface: 191.002  Volume: 224
  Hydrophobic surface: 318.377  Hydrophilic surface: 131.898
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs01865183
IBS-ZINC02440253