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CHEMBRIDGE-ZINC02485680

 MMsINC code: MMs00710500
Type: Neutral
Formula: C10H15O2P
SMILES:   P(O)(=O)(CCCC)c1ccccc1
InChI:   InChI=1/C10H15O2P/c1-2-3-9-13(11,12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,11,12)

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Potential Energy
Epot(MMFF94)=18.0969 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.202 g/mol  logS: -1.8797  SlogP: 1.3122  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0764866  Sterimol/B1: 2.83471  Sterimol/B2: 3.63597  Sterimol/B3: 3.93566
  Sterimol/B4: 4.20737  Sterimol/L: 13.9907 
 
 Surface and Volume Properties
  Accessible surface: 419.5  Positive charged surface: 249.652  Negative charged surface: 169.848  Volume: 200.25
  Hydrophobic surface: 330.046  Hydrophilic surface: 89.454
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.