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PUBCHEM-ZINC03163257

 MMsINC code: MMs03003785
Type: Neutral
Formula: C7H18NO3P
SMILES:   P(OCC)(OCC)(=O)CNCC
InChI:   InChI=1/C7H18NO3P/c1-4-8-7-12(9,10-5-2)11-6-3/h8H,4-7H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.9845 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.199 g/mol  logS: -0.06545  SlogP: 0.7493  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0864342  Sterimol/B1: 3.091  Sterimol/B2: 3.58996  Sterimol/B3: 4.096
  Sterimol/B4: 5.78628  Sterimol/L: 12.9927 
 
 Surface and Volume Properties
  Accessible surface: 433.568  Positive charged surface: 325.551  Negative charged surface: 108.017  Volume: 193.25
  Hydrophobic surface: 314.223  Hydrophilic surface: 119.345
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.