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CHEMBRIDGE-ZINC02149560

 MMsINC code: MMs00703139
Type: Neutral
Formula: C10H21O5P
SMILES:   P(OC(C)C)(OC(C)C)(=O)CC(OCC)=O
InChI:   InChI=1/C10H21O5P/c1-6-13-10(11)7-16(12,14-8(2)3)15-9(4)5/h8-9H,6-7H2,1-5H3

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Potential Energy
Epot(MMFF94)=-6.29387 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.247 g/mol  logS: -1.6556  SlogP: 1.5224  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.143279  Sterimol/B1: 2.86963  Sterimol/B2: 4.52933  Sterimol/B3: 4.74791
  Sterimol/B4: 6.49575  Sterimol/L: 13.2177 
 
 Surface and Volume Properties
  Accessible surface: 517.367  Positive charged surface: 359.231  Negative charged surface: 158.136  Volume: 245.625
  Hydrophobic surface: 354.997  Hydrophilic surface: 162.37
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.