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PUBCHEM-ZINC01851807

 MMsINC code: MMs02826052
Type: Neutral
Formula: C10H21O4P
SMILES:   P1(OC(CC1(O)C)(C)C)(OCCCC)=O
InChI:   InChI=1/C10H21O4P/c1-5-6-7-13-15(12)10(4,11)8-9(2,3)14-15/h11H,5-8H2,1-4H3/t10-,15+/m0/s1

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Potential Energy
Epot(MMFF94)=51.2547 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.248 g/mol  logS: -1.84124  SlogP: 1.8334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103476  Sterimol/B1: 3.00791  Sterimol/B2: 4.2453  Sterimol/B3: 4.4448
  Sterimol/B4: 5.01389  Sterimol/L: 13.1894 
 
 Surface and Volume Properties
  Accessible surface: 460.959  Positive charged surface: 323.486  Negative charged surface: 137.474  Volume: 228.5
  Hydrophobic surface: 315.709  Hydrophilic surface: 145.25
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.