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PUBCHEM-ZINC00220587

 MMsINC code: MMs02641659
Type: Neutral
Formula: C13H22N2O2
SMILES:   O=C1N(C(CC1)C(=O)NC(C)C)C1CCCC1
InChI:   InChI=1/C13H22N2O2/c1-9(2)14-13(17)11-7-8-12(16)15(11)10-5-3-4-6-10/h9-11H,3-8H2,1-2H3,(H,14,17)/t11-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=42.4128 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.331 g/mol  logS: -1.67256  SlogP: 1.4446  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12651  Sterimol/B1: 2.16131  Sterimol/B2: 3.73062  Sterimol/B3: 4.89231
  Sterimol/B4: 5.18423  Sterimol/L: 13.7661 
 
 Surface and Volume Properties
  Accessible surface: 470.806  Positive charged surface: 346.782  Negative charged surface: 124.024  Volume: 248.125
  Hydrophobic surface: 384.346  Hydrophilic surface: 86.46
 
 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.