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IBS-ZINC02440253

 MMsINC code: MMs01865183
Type: Ionized
Formula: C11H16O3P-
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)/p-1

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Potential Energy
Epot(MMFF94)=31.6168 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.22 g/mol  logS: -1.42037  SlogP: 0.52567  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110483  Sterimol/B1: 3.48081  Sterimol/B2: 3.6368  Sterimol/B3: 3.76669
  Sterimol/B4: 4.10544  Sterimol/L: 13.8704 
 
 Surface and Volume Properties
  Accessible surface: 441.252  Positive charged surface: 245.389  Negative charged surface: 195.864  Volume: 218
  Hydrophobic surface: 322.336  Hydrophilic surface: 118.916
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs01865182
IBS-ZINC02440253