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ASINEX-ZINC00029545

 MMsINC code: MMs00059831
Type: Neutral
Formula: C14H20N2O2
SMILES:   O=C(NC(C)C)c1ccc(cc1)C(=O)NC(C)C
InChI:   InChI=1/C14H20N2O2/c1-9(2)15-13(17)11-5-7-12(8-6-11)14(18)16-10(3)4/h5-10H,1-4H3,(H,15,17)(H,16,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.6802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.326 g/mol  logS: -2.98598  SlogP: 1.963  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0405799  Sterimol/B1: 2.25507  Sterimol/B2: 3.76057  Sterimol/B3: 4.53073
  Sterimol/B4: 4.66972  Sterimol/L: 16.3186 
 
 Surface and Volume Properties
  Accessible surface: 521.646  Positive charged surface: 330.862  Negative charged surface: 190.783  Volume: 258.875
  Hydrophobic surface: 364.676  Hydrophilic surface: 156.97
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.