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PUBCHEM-ZINC05963151

 MMsINC code: MMs03463488
Type: Neutral
Formula: C16H26N2O6
SMILES:   O(C(=O)C(NC(=O)\C=C\C(=O)NC(C(C)C)C(OC)=O)C(C)C)C
InChI:   InChI=1/C16H26N2O6/c1-9(2)13(15(21)23-5)17-11(19)7-8-12(20)18-14(10(3)4)16(22)24-6/h7-10,13-14H,1-6H3,(H,17,19)(H,18,20)/b8-7+/t13-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=69.1136 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.392 g/mol  logS: -2.71934  SlogP: 0.1702  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0590825  Sterimol/B1: 2.12928  Sterimol/B2: 3.90075  Sterimol/B3: 5.22022
  Sterimol/B4: 5.95507  Sterimol/L: 20.1188 
 
 Surface and Volume Properties
  Accessible surface: 628.573  Positive charged surface: 452.398  Negative charged surface: 176.175  Volume: 333.375
  Hydrophobic surface: 429.881  Hydrophilic surface: 198.692
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.