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NCID-ZINC05064315

 MMsINC code: MMs02435705
Type: Neutral
Formula: C11H23O3P
SMILES:   P1(OCC(CO1)C(C)(C)C)(=O)C(C)(C)C
InChI:   InChI=1/C11H23O3P/c1-10(2,3)9-7-13-15(12,14-8-9)11(4,5)6/h9H,7-8H2,1-6H3/t9-,15-

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Potential Energy
Epot(MMFF94)=120.625 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.276 g/mol  logS: -2.69105  SlogP: 2.6169  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.280832  Sterimol/B1: 2.74123  Sterimol/B2: 2.81717  Sterimol/B3: 4.44079
  Sterimol/B4: 5.30939  Sterimol/L: 11.1447 
 
 Surface and Volume Properties
  Accessible surface: 413.419  Positive charged surface: 296.881  Negative charged surface: 116.538  Volume: 229.75
  Hydrophobic surface: 297.348  Hydrophilic surface: 116.071
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.