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NCID-ZINC06009968

 MMsINC code: MMs02516684
Type: Neutral
Formula: C10H21O6P
SMILES:   P(OCC)(OCC)(=O)C1OC(OC1CO)(C)C
InChI:   InChI=1/C10H21O6P/c1-5-13-17(12,14-6-2)9-8(7-11)15-10(3,4)16-9/h8-9,11H,5-7H2,1-4H3/t8-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=47.0322 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.246 g/mol  logS: -1.08849  SlogP: 0.6522  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.297997  Sterimol/B1: 2.27185  Sterimol/B2: 4.5325  Sterimol/B3: 4.68994
  Sterimol/B4: 7.90006  Sterimol/L: 12.2333 
 
 Surface and Volume Properties
  Accessible surface: 513.956  Positive charged surface: 365.938  Negative charged surface: 148.017  Volume: 248.5
  Hydrophobic surface: 327.779  Hydrophilic surface: 186.177
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.