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PUBCHEM-ZINC06795200

 MMsINC code: MMs03862757
Type: Neutral
Formula: C16H24N2O2
SMILES:   O1CCN(C(=O)NC(C)(C)C)C(C)C1c1ccccc1
InChI:   InChI=1/C16H24N2O2/c1-12-14(13-8-6-5-7-9-13)20-11-10-18(12)15(19)17-16(2,3)4/h5-9,12,14H,10-11H2,1-4H3,(H,17,19)/t12-,14+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.8814 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.38 g/mol  logS: -2.86656  SlogP: 3.052  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0780701  Sterimol/B1: 2.35503  Sterimol/B2: 3.25922  Sterimol/B3: 3.96021
  Sterimol/B4: 6.62079  Sterimol/L: 15.8805 
 
 Surface and Volume Properties
  Accessible surface: 521.793  Positive charged surface: 370.418  Negative charged surface: 151.375  Volume: 288.125
  Hydrophobic surface: 436.872  Hydrophilic surface: 84.921
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.