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NCID-ZINC01620536

 MMsINC code: MMs02268713
Type: Neutral
Formula: C10H19O5P
SMILES:   P(OCC)(OCC)(=O)C1CCCCOC1=O
InChI:   InChI=1/C10H19O5P/c1-3-14-16(12,15-4-2)9-7-5-6-8-13-10(9)11/h9H,3-8H2,1-2H3/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=25.6528 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.231 g/mol  logS: -1.42812  SlogP: 1.278  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0895067  Sterimol/B1: 2.30351  Sterimol/B2: 3.01622  Sterimol/B3: 3.71693
  Sterimol/B4: 8.17724  Sterimol/L: 12.1905 
 
 Surface and Volume Properties
  Accessible surface: 475.689  Positive charged surface: 339.776  Negative charged surface: 135.913  Volume: 229.75
  Hydrophobic surface: 357.296  Hydrophilic surface: 118.393
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.