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ASINEX-ZINC00255276

 MMsINC code: MMs00100474
Type: Neutral
Formula: C18H18N2O
SMILES:   OC(Cc1nccn1C)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C18H18N2O/c1-20-13-12-19-17(20)14-18(21,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,21H,14H2,1H3

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Potential Energy
Epot(MMFF94)=86.1615 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.355 g/mol  logS: -3.08322  SlogP: 3.56937  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.248355  Sterimol/B1: 2.17585  Sterimol/B2: 3.17974  Sterimol/B3: 4.61394
  Sterimol/B4: 9.25565  Sterimol/L: 13.4421 
 
 Surface and Volume Properties
  Accessible surface: 501.704  Positive charged surface: 335.322  Negative charged surface: 166.382  Volume: 284.5
  Hydrophobic surface: 460.707  Hydrophilic surface: 40.997
 
 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.