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NCID-ZINC05328014

 MMsINC code: MMs02451268
Type: Neutral
Formula: C13H29O4P
SMILES:   P(OC(CCC)C)(OC(CC)C)(OC(CC)C)=O
InChI:   InChI=1/C13H29O4P/c1-7-10-13(6)17-18(14,15-11(4)8-2)16-12(5)9-3/h11-13H,7-10H2,1-6H3/t11-,12-,13+/m0/s1

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Potential Energy
Epot(MMFF94)=14.1328 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.345 g/mol  logS: -2.94973  SlogP: 3.8597  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.376817  Sterimol/B1: 2.85775  Sterimol/B2: 3.35564  Sterimol/B3: 6.27156
  Sterimol/B4: 7.50785  Sterimol/L: 12.5215 
 
 Surface and Volume Properties
  Accessible surface: 532.186  Positive charged surface: 380.903  Negative charged surface: 151.282  Volume: 292.625
  Hydrophobic surface: 393.69  Hydrophilic surface: 138.496
 
 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.