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PUBCHEM-ZINC00218324

 MMsINC code: MMs02641323
Type: Neutral
Formula: C11H18N2O2
SMILES:   O=C1N(C(C)C)C(CC1)C(=O)NC1CC1
InChI:   InChI=1/C11H18N2O2/c1-7(2)13-9(5-6-10(13)14)11(15)12-8-3-4-8/h7-9H,3-6H2,1-2H3,(H,12,15)/t9-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.0063 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.277 g/mol  logS: -1.26902  SlogP: 0.6644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122925  Sterimol/B1: 2.41048  Sterimol/B2: 3.53963  Sterimol/B3: 4.12433
  Sterimol/B4: 5.41758  Sterimol/L: 12.2017 
 
 Surface and Volume Properties
  Accessible surface: 437.817  Positive charged surface: 300.503  Negative charged surface: 137.314  Volume: 217
  Hydrophobic surface: 298.46  Hydrophilic surface: 139.357
 
 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.