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NCID-ZINC01613207

 MMsINC code: MMs02263382
Type: Neutral
Formula: C11H22N2O3
SMILES:   O(C(C)(C)C)C(=O)NCC(=O)N(CC)CC
InChI:   InChI=1/C11H22N2O3/c1-6-13(7-2)9(14)8-12-10(15)16-11(3,4)5/h6-8H2,1-5H3,(H,12,15)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.669 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.308 g/mol  logS: -1.54256  SlogP: 1.3795  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0627134  Sterimol/B1: 2.40689  Sterimol/B2: 2.90169  Sterimol/B3: 3.75989
  Sterimol/B4: 6.35375  Sterimol/L: 14.8368 
 
 Surface and Volume Properties
  Accessible surface: 487.535  Positive charged surface: 348.341  Negative charged surface: 139.194  Volume: 239
  Hydrophobic surface: 311.283  Hydrophilic surface: 176.252
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.