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NCID-ZINC01763420

 MMsINC code: MMs02368508
Type: Neutral
Formula: C7H19N2O2P
SMILES:   P(OCC)(OCC)N(N(C)C)C
InChI:   InChI=1/C7H19N2O2P/c1-6-10-12(11-7-2)9(5)8(3)4/h6-7H2,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.5817 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.215 g/mol  logS: 0.22055  SlogP: 1.6947  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.22962  Sterimol/B1: 2.40806  Sterimol/B2: 3.43685  Sterimol/B3: 4.29513
  Sterimol/B4: 7.24979  Sterimol/L: 11.1749 
 
 Surface and Volume Properties
  Accessible surface: 418.915  Positive charged surface: 367.968  Negative charged surface: 50.9474  Volume: 200.5
  Hydrophobic surface: 349.245  Hydrophilic surface: 69.67
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.