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CHEMDIV-ZINC06835870

 MMsINC code: MMs01045185
Type: Neutral
Formula: C18H18N2O2
SMILES:   o1nc(c2c1cccc2)CC(=O)N(CC)c1cc(ccc1)C
InChI:   InChI=1/C18H18N2O2/c1-3-20(14-8-6-7-13(2)11-14)18(21)12-16-15-9-4-5-10-17(15)22-19-16/h4-11H,3,12H2,1-2H3

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Potential Energy
Epot(MMFF94)=80.7838 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.354 g/mol  logS: -4.75743  SlogP: 3.73179  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159515  Sterimol/B1: 2.5491  Sterimol/B2: 3.64409  Sterimol/B3: 5.17832
  Sterimol/B4: 7.50759  Sterimol/L: 15.2628 
 
 Surface and Volume Properties
  Accessible surface: 548.648  Positive charged surface: 311.157  Negative charged surface: 233.715  Volume: 294.25
  Hydrophobic surface: 482.015  Hydrophilic surface: 66.633
 
 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: no related molecules available.