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CHEMDIV-ZINC05005594

 MMsINC code: MMs00977994
Type: Neutral
Formula: C17H28N2O2
SMILES:   O=C(C)c1c(C)c([nH]c1C)C(=O)N(CCCC)CCCC
InChI:   InChI=1/C17H28N2O2/c1-6-8-10-19(11-9-7-2)17(21)16-12(3)15(14(5)20)13(4)18-16/h18H,6-11H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.821 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.423 g/mol  logS: -2.89569  SlogP: 3.87654  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163729  Sterimol/B1: 3.43513  Sterimol/B2: 3.66844  Sterimol/B3: 5.06166
  Sterimol/B4: 7.60598  Sterimol/L: 15.0277 
 
 Surface and Volume Properties
  Accessible surface: 580.816  Positive charged surface: 386.055  Negative charged surface: 194.761  Volume: 319.5
  Hydrophobic surface: 449.09  Hydrophilic surface: 131.726
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.