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PUBCHEM-ZINC05760591

 MMsINC code: MMs03373982
Type: Neutral
Formula: C7H19N2O2P
SMILES:   P(OC)(=O)(NC(C)C)NC(C)C
InChI:   InChI=1/C7H19N2O2P/c1-6(2)8-12(10,11-5)9-7(3)4/h6-7H,1-5H3,(H2,8,9,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-53.7662 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.215 g/mol  logS: -0.06024  SlogP: 0.6667  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.177231  Sterimol/B1: 2.02097  Sterimol/B2: 3.71401  Sterimol/B3: 3.76309
  Sterimol/B4: 7.12109  Sterimol/L: 11.293 
 
 Surface and Volume Properties
  Accessible surface: 411.793  Positive charged surface: 298.903  Negative charged surface: 112.891  Volume: 197.5
  Hydrophobic surface: 277.645  Hydrophilic surface: 134.148
 
 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.