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PUBCHEM-ZINC05853215

 MMsINC code: MMs03418082
Type: Neutral
Formula: C5H15N2O2P
SMILES:   P(OC)(=O)(NCC)NCC
InChI:   InChI=1/C5H15N2O2P/c1-4-6-10(8,9-3)7-5-2/h4-5H2,1-3H3,(H2,6,7,8)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-34.6621 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.161 g/mol  logS: 0.59418  SlogP: -0.1103  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0932411  Sterimol/B1: 2.42208  Sterimol/B2: 2.53783  Sterimol/B3: 3.8751
  Sterimol/B4: 5.29043  Sterimol/L: 12.1519 
 
 Surface and Volume Properties
  Accessible surface: 367.1  Positive charged surface: 277.722  Negative charged surface: 89.3775  Volume: 159.5
  Hydrophobic surface: 245.029  Hydrophilic surface: 122.071
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.