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PUBCHEM-ZINC05298669

 MMsINC code: MMs03235344
Type: Neutral
Formula: C7H18NO2P
SMILES:   P(OCC)(OCC)NCCC
InChI:   InChI=1/C7H18NO2P/c1-4-7-8-11(9-5-2)10-6-3/h8H,4-7H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.09687 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 179.2 g/mol  logS: -0.64155  SlogP: 2.2859  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0781852  Sterimol/B1: 2.82728  Sterimol/B2: 3.15923  Sterimol/B3: 5.23501
  Sterimol/B4: 5.95564  Sterimol/L: 11.5442 
 
 Surface and Volume Properties
  Accessible surface: 439.571  Positive charged surface: 350.782  Negative charged surface: 88.7886  Volume: 188.125
  Hydrophobic surface: 334.356  Hydrophilic surface: 105.215
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.