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NCID-ZINC05328041

 MMsINC code: MMs02451271
Type: Neutral
Formula: C11H25O4P
SMILES:   P(OC(CCC)C)(OC(CC)C)(OCC)=O
InChI:   InChI=1/C11H25O4P/c1-6-9-11(5)15-16(12,13-8-3)14-10(4)7-2/h10-11H,6-9H2,1-5H3/t10-,11+,16-/m0/s1

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Potential Energy
Epot(MMFF94)=-8.21029 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.291 g/mol  logS: -2.42075  SlogP: 3.0811  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0963474  Sterimol/B1: 3.03779  Sterimol/B2: 3.50846  Sterimol/B3: 3.94665
  Sterimol/B4: 7.91506  Sterimol/L: 12.9811 
 
 Surface and Volume Properties
  Accessible surface: 506.672  Positive charged surface: 359.65  Negative charged surface: 147.022  Volume: 261.75
  Hydrophobic surface: 370.29  Hydrophilic surface: 136.382
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.