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CHEMBRIDGE-ZINC04949813

 MMsINC code: MMs00813475
Type: Ionized
Formula: C11H14O3P-
SMILES:   P(=O)(CCC)(CC(=O)[O-])c1ccccc1
InChI:   InChI=1/C11H15O3P/c1-2-8-15(14,9-11(12)13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,12,13)/p-1/t15-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.16935 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.204 g/mol  logS: -1.71139  SlogP: -0.2353  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.183476  Sterimol/B1: 2.52395  Sterimol/B2: 3.41061  Sterimol/B3: 4.49164
  Sterimol/B4: 6.59964  Sterimol/L: 12.721 
 
 Surface and Volume Properties
  Accessible surface: 434.254  Positive charged surface: 239.217  Negative charged surface: 195.037  Volume: 216
  Hydrophobic surface: 304.314  Hydrophilic surface: 129.94
 
 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:


MMs00813474
CHEMBRIDGE-ZINC04949813