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ASINEX-ZINC00315103

 MMsINC code: MMs00116918
Type: Neutral
Formula: C17H19NO2
SMILES:   O=[N+]([O-])c1cc(Cc2c(cc(cc2C)C)C)c(cc1)C
InChI:   InChI=1/C17H19NO2/c1-11-7-13(3)17(14(4)8-11)10-15-9-16(18(19)20)6-5-12(15)2/h5-9H,10H2,1-4H3

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Potential Energy
Epot(MMFF94)=92.4063 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.344 g/mol  logS: -6.18717  SlogP: 4.41925  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.256981  Sterimol/B1: 2.36065  Sterimol/B2: 4.53549  Sterimol/B3: 4.92122
  Sterimol/B4: 8.00197  Sterimol/L: 13.3644 
 
 Surface and Volume Properties
  Accessible surface: 500.302  Positive charged surface: 271.668  Negative charged surface: 228.634  Volume: 273.5
  Hydrophobic surface: 421.48  Hydrophilic surface: 78.822
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.