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MDPI-ZINC01845680

 MMsINC code: MMs02176163
Type: Neutral
Formula: C10H21O4P
SMILES:   P(OCC)(OCC)(=O)CC(=O)C(C)(C)C
InChI:   InChI=1/C10H21O4P/c1-6-13-15(12,14-7-2)8-9(11)10(3,4)5/h6-8H2,1-5H3

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Potential Energy
Epot(MMFF94)=14.9854 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.248 g/mol  logS: -1.20982  SlogP: 1.7975  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0954071  Sterimol/B1: 2.05175  Sterimol/B2: 3.10456  Sterimol/B3: 4.11291
  Sterimol/B4: 8.10987  Sterimol/L: 13.3319 
 
 Surface and Volume Properties
  Accessible surface: 486.195  Positive charged surface: 336.899  Negative charged surface: 149.296  Volume: 234.25
  Hydrophobic surface: 338.249  Hydrophilic surface: 147.946
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.