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CHEMBRIDGE-ZINC00295513

 MMsINC code: MMs00602916
Type: Neutral
Formula: C10H15O2P
SMILES:   P(O)(=O)(CC(C)C)c1ccccc1
InChI:   InChI=1/C10H15O2P/c1-9(2)8-13(11,12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,11,12)

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Potential Energy
Epot(MMFF94)=25.7155 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.202 g/mol  logS: -1.56625  SlogP: 1.1681  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0931313  Sterimol/B1: 2.56635  Sterimol/B2: 3.4765  Sterimol/B3: 3.77034
  Sterimol/B4: 4.77419  Sterimol/L: 12.8066 
 
 Surface and Volume Properties
  Accessible surface: 405.723  Positive charged surface: 232.849  Negative charged surface: 172.874  Volume: 197.375
  Hydrophobic surface: 306.648  Hydrophilic surface: 99.075
 
 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.