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PUBCHEM-ZINC03165349

 MMsINC code: MMs03004118
Type: Neutral
Formula: C10H15O2P
SMILES:   P(=O)(CC)(CC)c1ccccc1O
InChI:   InChI=1/C10H15O2P/c1-3-13(12,4-2)10-8-6-5-7-9(10)11/h5-8,11H,3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.7895 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.202 g/mol  logS: -1.21859  SlogP: 1.3502  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.255498  Sterimol/B1: 2.43947  Sterimol/B2: 3.28351  Sterimol/B3: 4.21346
  Sterimol/B4: 6.2415  Sterimol/L: 11.3916 
 
 Surface and Volume Properties
  Accessible surface: 394.975  Positive charged surface: 245.003  Negative charged surface: 149.972  Volume: 196.75
  Hydrophobic surface: 301.233  Hydrophilic surface: 93.742
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.