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NCID-ZINC01596678

 MMsINC code: MMs02250634
Type: Neutral
Formula: C11H21NO4
SMILES:   O(C(=O)C(CCN(C)C)C(OCC)=O)CC
InChI:   InChI=1/C11H21NO4/c1-5-15-10(13)9(7-8-12(3)4)11(14)16-6-2/h9H,5-8H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.4082 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.292 g/mol  logS: -0.91744  SlogP: 0.6805  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0465663  Sterimol/B1: 2.47388  Sterimol/B2: 2.641  Sterimol/B3: 3.13882
  Sterimol/B4: 8.01629  Sterimol/L: 13.9213 
 
 Surface and Volume Properties
  Accessible surface: 493.644  Positive charged surface: 403.377  Negative charged surface: 90.2672  Volume: 242
  Hydrophobic surface: 390.001  Hydrophilic surface: 103.643
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs02250635
NCID-ZINC01596678