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CHEMSTAR-ZINC03161506

 MMsINC code: MMs01085054
Type: Neutral
Formula: C10H25N2O2P
SMILES:   P(O)(=O)(CN(CC)CC)CN(CC)CC
InChI:   InChI=1/C10H25N2O2P/c1-5-11(6-2)9-15(13,14)10-12(7-3)8-4/h5-10H2,1-4H3,(H,13,14)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.6556 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.296 g/mol  logS: 0.47274  SlogP: 0.7852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135975  Sterimol/B1: 1.99134  Sterimol/B2: 2.26291  Sterimol/B3: 4.88101
  Sterimol/B4: 5.98768  Sterimol/L: 12.8508 
 
 Surface and Volume Properties
  Accessible surface: 487.146  Positive charged surface: 365.891  Negative charged surface: 121.255  Volume: 249.125
  Hydrophobic surface: 351.617  Hydrophilic surface: 135.529
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs01085055
CHEMSTAR-ZINC03161506