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ASINEX-ZINC02963815

 MMsINC code: MMs00282241
Type: Neutral
Formula: C10H21O6P
SMILES:   P(OCC)(OCC)(=O)C(O)(CC(OCC)=O)C
InChI:   InChI=1/C10H21O6P/c1-5-14-9(11)8-10(4,12)17(13,15-6-2)16-7-3/h12H,5-8H2,1-4H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=39.6492 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.246 g/mol  logS: -1.06373  SlogP: 0.844  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0607353  Sterimol/B1: 3.32893  Sterimol/B2: 3.74538  Sterimol/B3: 4.93566
  Sterimol/B4: 5.11722  Sterimol/L: 15.9303 
 
 Surface and Volume Properties
  Accessible surface: 524.391  Positive charged surface: 378.381  Negative charged surface: 146.01  Volume: 251.25
  Hydrophobic surface: 352.527  Hydrophilic surface: 171.864
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.