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CHEMBLOCK-ZINC02464478

 MMsINC code: MMs00531810
Type: Neutral
Formula: C9H20NO4P
SMILES:   P(OCC)(OCC)(=O)CN1CCOCC1
InChI:   InChI=1/C9H20NO4P/c1-3-13-15(11,14-4-2)9-10-5-7-12-8-6-10/h3-9H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.6323 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.236 g/mol  logS: -0.16067  SlogP: 0.472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132993  Sterimol/B1: 2.10641  Sterimol/B2: 3.45983  Sterimol/B3: 4.10204
  Sterimol/B4: 7.91104  Sterimol/L: 13.2774 
 
 Surface and Volume Properties
  Accessible surface: 478.936  Positive charged surface: 389.309  Negative charged surface: 89.6271  Volume: 226.5
  Hydrophobic surface: 388.144  Hydrophilic surface: 90.792
 
 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.