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NIH-ZINC00446665

 MMsINC code: MMs02521625
Type: Neutral
Formula: C10H15O2P
SMILES:   P(=O)(C(O)(C)C)(C)c1ccccc1
InChI:   InChI=1/C10H15O2P/c1-10(2,11)13(3,12)9-7-5-4-6-8-9/h4-8,11H,1-3H3/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=49.5027 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.202 g/mol  logS: -1.43396  SlogP: 0.963  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.201988  Sterimol/B1: 3.40892  Sterimol/B2: 3.50037  Sterimol/B3: 3.91382
  Sterimol/B4: 4.69889  Sterimol/L: 11.5708 
 
 Surface and Volume Properties
  Accessible surface: 395.7  Positive charged surface: 226.298  Negative charged surface: 169.402  Volume: 199.25
  Hydrophobic surface: 288.832  Hydrophilic surface: 106.868
 
 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.