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CHEMBRIDGE-ZINC01832169

 MMsINC code: MMs00698931
Type: Ionized
Formula: C10H18O5P-
SMILES:   P(OCC)(OCC)(=O)C1(CCCC1)C(=O)[O-]
InChI:   InChI=1/C10H19O5P/c1-3-14-16(13,15-4-2)10(9(11)12)7-5-6-8-10/h3-8H2,1-2H3,(H,11,12)/p-1

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Potential Energy
Epot(MMFF94)=-11.5424 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.223 g/mol  logS: -1.47801  SlogP: 0.245  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.200751  Sterimol/B1: 2.3176  Sterimol/B2: 3.84801  Sterimol/B3: 4.39654
  Sterimol/B4: 8.79008  Sterimol/L: 10.94 
 
 Surface and Volume Properties
  Accessible surface: 454.48  Positive charged surface: 309.054  Negative charged surface: 145.426  Volume: 228.125
  Hydrophobic surface: 325.722  Hydrophilic surface: 128.758
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 2  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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Parent related molecule:


MMs00698930
CHEMBRIDGE-ZINC01832169