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PUBCHEM-ZINC06020074

 MMsINC code: MMs03495210
Type: Neutral
Formula: C16H28N4O5
SMILES:   O(C(C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)NC(=O)C(NC)C
InChI:   InChI=1/C16H28N4O5/c1-10(17-5)13(22)19-12(21)9-18-14(23)11-7-6-8-20(11)15(24)25-16(2,3)4/h10-11,17H,6-9H2,1-5H3,(H,18,23)(H,19,21,22)/t10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=81.6746 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.423 g/mol  logS: -2.09455  SlogP: -0.2472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0440303  Sterimol/B1: 2.14321  Sterimol/B2: 4.98101  Sterimol/B3: 5.10887
  Sterimol/B4: 6.05035  Sterimol/L: 19.7418 
 
 Surface and Volume Properties
  Accessible surface: 660.069  Positive charged surface: 495.626  Negative charged surface: 164.443  Volume: 345.375
  Hydrophobic surface: 448.717  Hydrophilic surface: 211.352
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.