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CHEMBRIDGE-ZINC01676286

 MMsINC code: MMs00694941
Type: Neutral
Formula: C9H22NO3P
SMILES:   P(OCC)(OCC)(=O)CN(CC)CC
InChI:   InChI=1/C9H22NO3P/c1-5-10(6-2)9-14(11,12-7-3)13-8-4/h5-9H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.6209 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.253 g/mol  logS: -0.52361  SlogP: 1.4816  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.213393  Sterimol/B1: 2.32151  Sterimol/B2: 4.09934  Sterimol/B3: 5.7908
  Sterimol/B4: 5.98632  Sterimol/L: 12.5952 
 
 Surface and Volume Properties
  Accessible surface: 480.228  Positive charged surface: 364.913  Negative charged surface: 115.315  Volume: 230.375
  Hydrophobic surface: 362.917  Hydrophilic surface: 117.311
 
 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.