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PUBCHEM-ZINC00218321

 MMsINC code: MMs02641322
Type: Neutral
Formula: C11H20N2O2
SMILES:   O=C1N(C(C)C)C(CC1)C(=O)NC(C)C
InChI:   InChI=1/C11H20N2O2/c1-7(2)12-11(15)9-5-6-10(14)13(9)8(3)4/h7-9H,5-6H2,1-4H3,(H,12,15)/t9-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.4321 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.293 g/mol  logS: -1.37106  SlogP: 0.9104  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15202  Sterimol/B1: 2.19021  Sterimol/B2: 4.23075  Sterimol/B3: 4.62781
  Sterimol/B4: 4.72529  Sterimol/L: 12.4202 
 
 Surface and Volume Properties
  Accessible surface: 442.106  Positive charged surface: 310.355  Negative charged surface: 131.751  Volume: 223.75
  Hydrophobic surface: 310.567  Hydrophilic surface: 131.539
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.