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NCID-ZINC05716124

 MMsINC code: MMs02488781
Type: Neutral
Formula: C17H32N2O6
SMILES:   O(C(C)(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCOC)C(OC)=O
InChI:   InChI=1/C17H32N2O6/c1-11(2)10-13(19-16(22)25-17(3,4)5)14(20)18-12(8-9-23-6)15(21)24-7/h11-13H,8-10H2,1-7H3,(H,18,20)(H,19,22)/t12-,13-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.3171 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.451 g/mol  logS: -3.30613  SlogP: 1.6201  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.170415  Sterimol/B1: 2.14306  Sterimol/B2: 3.24142  Sterimol/B3: 7.64664
  Sterimol/B4: 8.38798  Sterimol/L: 16.1645 
 
 Surface and Volume Properties
  Accessible surface: 678.238  Positive charged surface: 521.24  Negative charged surface: 156.998  Volume: 361
  Hydrophobic surface: 486.481  Hydrophilic surface: 191.757
 
 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.