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CHEMBRIDGE-ZINC00610623

 MMsINC code: MMs00633318
Type: Neutral
Formula: C16H28N2O
SMILES:   Oc1c(cc(cc1CN(C)C)C(C)(C)C)CN(C)C
InChI:   InChI=1/C16H28N2O/c1-16(2,3)14-8-12(10-17(4)5)15(19)13(9-14)11-18(6)7/h8-9,19H,10-11H2,1-7H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.9768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.413 g/mol  logS: -2.78541  SlogP: 3.3457  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14683  Sterimol/B1: 2.11722  Sterimol/B2: 2.57469  Sterimol/B3: 4.81199
  Sterimol/B4: 8.72183  Sterimol/L: 12.5719 
 
 Surface and Volume Properties
  Accessible surface: 534.765  Positive charged surface: 459.021  Negative charged surface: 75.744  Volume: 296.625
  Hydrophobic surface: 441.326  Hydrophilic surface: 93.439
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs00633319
CHEMBRIDGE-ZINC00610623