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MDPI-ZINC03847127

 MMsINC code: MMs02180569
Type: Neutral
Formula: C10H21O3P
SMILES:   P(OC)(=O)(C(C)(C)C)C(=O)C(C)(C)C
InChI:   InChI=1/C10H21O3P/c1-9(2,3)8(11)14(12,13-7)10(4,5)6/h1-7H3/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=54.9062 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.249 g/mol  logS: -1.33843  SlogP: 2.2119  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.209937  Sterimol/B1: 2.91104  Sterimol/B2: 2.99058  Sterimol/B3: 4.19241
  Sterimol/B4: 6.2105  Sterimol/L: 11.4438 
 
 Surface and Volume Properties
  Accessible surface: 413.897  Positive charged surface: 292.745  Negative charged surface: 121.152  Volume: 224.5
  Hydrophobic surface: 292.182  Hydrophilic surface: 121.715
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.