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PUBCHEM-ZINC05760606

 MMsINC code: MMs03373992
Type: Neutral
Formula: C15H30N4O4
SMILES:   OC(=O)N([N+]([O-])(C(C)(C)C)C(NC(C)C)C)C(=O)C1NCCC1
InChI:   InChI=1/C15H30N4O4/c1-10(2)17-11(3)19(23,15(4,5)6)18(14(21)22)13(20)12-8-7-9-16-12/h10-12,16-17H,7-9H2,1-6H3,(H,21,22)/t11-,12+,19-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=356.574 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.429 g/mol  logS: -1.74533  SlogP: 1.6171  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.294149  Sterimol/B1: 3.71798  Sterimol/B2: 3.88068  Sterimol/B3: 5.013
  Sterimol/B4: 5.99494  Sterimol/L: 13.5282 
 
 Surface and Volume Properties
  Accessible surface: 507.379  Positive charged surface: 331.546  Negative charged surface: 175.833  Volume: 311.875
  Hydrophobic surface: 313.289  Hydrophilic surface: 194.09
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.