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OTAVA-ZINC01927709

 MMsINC code: MMs02568339
Type: Neutral
Formula: C25H23NO
SMILES:   O1c2c(cc(cc2)C)/C(=N\c2c(cc(cc2C)C)C)/C=C1c1ccccc1
InChI:   InChI=1/C25H23NO/c1-16-10-11-23-21(14-16)22(15-24(27-23)20-8-6-5-7-9-20)26-25-18(3)12-17(2)13-19(25)4/h5-15H,1-4H3/b26-22+

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Potential Energy
Epot(MMFF94)=101.802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.465 g/mol  logS: -7.7359  SlogP: 6.47458  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151409  Sterimol/B1: 2.3081  Sterimol/B2: 4.75667  Sterimol/B3: 4.75936
  Sterimol/B4: 10.5152  Sterimol/L: 15.1694 
 
 Surface and Volume Properties
  Accessible surface: 644.77  Positive charged surface: 386.281  Negative charged surface: 258.488  Volume: 372.5
  Hydrophobic surface: 642.613  Hydrophilic surface: 2.1569999999999
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.