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CHEMDIV-ZINC00187952

 MMsINC code: MMs00836958
Type: Neutral
Formula: C16H26N2O2
SMILES:   O(C(=O)N(C)C)c1c(CN(C)C)c(ccc1C(C)C)C
InChI:   InChI=1/C16H26N2O2/c1-11(2)13-9-8-12(3)14(10-17(4)5)15(13)20-16(19)18(6)7/h8-9,11H,10H2,1-7H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.8657 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.396 g/mol  logS: -3.00255  SlogP: 3.50682  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.206479  Sterimol/B1: 2.39224  Sterimol/B2: 3.54898  Sterimol/B3: 5.29943
  Sterimol/B4: 7.45702  Sterimol/L: 11.6449 
 
 Surface and Volume Properties
  Accessible surface: 535.572  Positive charged surface: 429.586  Negative charged surface: 105.986  Volume: 299.125
  Hydrophobic surface: 474.437  Hydrophilic surface: 61.135
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00836959
CHEMDIV-ZINC00187952