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NCID-ZINC05328024

 MMsINC code: MMs02451269
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-,18+/m1/s1

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Potential Energy
Epot(MMFF94)=4.51724 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: 0.313534  Sterimol/B1: 2.70251  Sterimol/B2: 4.38016  Sterimol/B3: 5.78987
  Sterimol/B4: 7.04875  Sterimol/L: 13.0885 
 
 Surface and Volume Properties
  Accessible surface: 537.133  Positive charged surface: 383.515  Negative charged surface: 153.618  Volume: 296.25
  Hydrophobic surface: 397.675  Hydrophilic surface: 139.458
 
 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.