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CHEMBRIDGE-ZINC00295597

 MMsINC code: MMs00602926
Type: Neutral
Formula: C11H17O2P
SMILES:   P(=O)(C(C)(C)C)(CO)c1ccccc1
InChI:   InChI=1/C11H17O2P/c1-11(2,3)14(13,9-12)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=64.5029 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.229 g/mol  logS: -1.41071  SlogP: 1.3531  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.276619  Sterimol/B1: 2.17938  Sterimol/B2: 3.64026  Sterimol/B3: 5.1243
  Sterimol/B4: 5.26711  Sterimol/L: 11.4607 
 
 Surface and Volume Properties
  Accessible surface: 411.28  Positive charged surface: 259.21  Negative charged surface: 152.07  Volume: 214.25
  Hydrophobic surface: 302.4  Hydrophilic surface: 108.88
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.