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CHEMBRIDGE-ZINC02495787

 MMsINC code: MMs00711444
Type: Neutral
Formula: C11H24NO4P
SMILES:   P(OCCC)(OCCC)(=O)CN1CCOCC1
InChI:   InChI=1/C11H24NO4P/c1-3-7-15-17(13,16-8-4-2)11-12-5-9-14-10-6-12/h3-11H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.1266 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.29 g/mol  logS: -0.56421  SlogP: 1.2522  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0611034  Sterimol/B1: 2.80132  Sterimol/B2: 3.28822  Sterimol/B3: 3.43566
  Sterimol/B4: 8.42218  Sterimol/L: 14.646 
 
 Surface and Volume Properties
  Accessible surface: 530.04  Positive charged surface: 424.95  Negative charged surface: 105.09  Volume: 261.125
  Hydrophobic surface: 436.657  Hydrophilic surface: 93.383
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.