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NCID-ZINC01733211

 MMsINC code: MMs02355722
Type: Ionized
Formula: C11H14O3P-
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)/p-1/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=12.1272 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.204 g/mol  logS: -1.83683  SlogP: -0.2369  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.215237  Sterimol/B1: 2.25105  Sterimol/B2: 3.36241  Sterimol/B3: 4.30497
  Sterimol/B4: 6.79407  Sterimol/L: 11.4123 
 
 Surface and Volume Properties
  Accessible surface: 416.904  Positive charged surface: 221.011  Negative charged surface: 195.894  Volume: 214.625
  Hydrophobic surface: 280.699  Hydrophilic surface: 136.205
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs02355721
NCID-ZINC01733211