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NCID-ZINC01603550

 MMsINC code: MMs02256204
Type: Neutral
Formula: C5H15N2O2P
SMILES:   P(OC)(=O)(N(C)C)N(C)C
InChI:   InChI=1/C5H15N2O2P/c1-6(2)10(8,9-5)7(3)4/h1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-19.769 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.161 g/mol  logS: 1.09744  SlogP: -0.2061  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.232702  Sterimol/B1: 2.59833  Sterimol/B2: 2.62259  Sterimol/B3: 4.34411
  Sterimol/B4: 5.32354  Sterimol/L: 9.0924 
 
 Surface and Volume Properties
  Accessible surface: 347.888  Positive charged surface: 320.88  Negative charged surface: 27.0082  Volume: 161.25
  Hydrophobic surface: 320.88  Hydrophilic surface: 27.008
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.