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CHEMBRIDGE-ZINC00270628

 MMsINC code: MMs00599177
Type: Neutral
Formula: C8H18NO3P
SMILES:   P(OCC)(OCC)N1CCOCC1
InChI:   InChI=1/C8H18NO3P/c1-3-11-13(12-4-2)9-5-7-10-8-6-9/h3-8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.4903 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.21 g/mol  logS: -0.47963  SlogP: 1.6185  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.215532  Sterimol/B1: 2.21277  Sterimol/B2: 3.69774  Sterimol/B3: 3.85435
  Sterimol/B4: 8.46315  Sterimol/L: 11.093 
 
 Surface and Volume Properties
  Accessible surface: 436.618  Positive charged surface: 372.521  Negative charged surface: 64.0978  Volume: 201.25
  Hydrophobic surface: 353.879  Hydrophilic surface: 82.739
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.