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PUBCHEM-ZINC06906789

 MMsINC code: MMs03897199
Type: Neutral
Formula: C16H28N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NCC(C)C)C(=O)NC1(CCC(C)C)C
InChI:   InChI=1/C16H28N4O4/c1-10(2)6-7-16(5)13(22)20(15(24)19-16)9-12(21)18-14(23)17-8-11(3)4/h10-11H,6-9H2,1-5H3,(H,19,24)(H2,17,18,21,23)/t16-/m1/s1

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Potential Energy
Epot(MMFF94)=10.742 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.424 g/mol  logS: -3.56819  SlogP: 1.2149  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0370226  Sterimol/B1: 2.81736  Sterimol/B2: 3.92267  Sterimol/B3: 4.07306
  Sterimol/B4: 4.08398  Sterimol/L: 21.2923 
 
 Surface and Volume Properties
  Accessible surface: 634.915  Positive charged surface: 439.909  Negative charged surface: 195.006  Volume: 335.75
  Hydrophobic surface: 356.295  Hydrophilic surface: 278.62
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.