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NCID-ZINC01735296

 MMsINC code: MMs02357381
Type: Neutral
Formula: C10H23O4P
SMILES:   P(OC(CC)C)(OC(CC)C)(OCC)=O
InChI:   InChI=1/C10H23O4P/c1-6-9(4)13-15(11,12-8-3)14-10(5)7-2/h9-10H,6-8H2,1-5H3/t9-,10+,15+

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Potential Energy
Epot(MMFF94)=1.36154 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.264 g/mol  logS: -1.90553  SlogP: 2.691  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.167103  Sterimol/B1: 2.76413  Sterimol/B2: 3.61123  Sterimol/B3: 4.67761
  Sterimol/B4: 6.21171  Sterimol/L: 11.9531 
 
 Surface and Volume Properties
  Accessible surface: 468.037  Positive charged surface: 332.644  Negative charged surface: 135.393  Volume: 243.125
  Hydrophobic surface: 341.827  Hydrophilic surface: 126.21
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.