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ENAMINE-ZINC02679622

 MMsINC code: MMs01285409
Type: Neutral
Formula: C24H15NO2
SMILES:   O1C(=N\C(=C\c2c3c(ccc2)cccc3)\C1=O)c1c2c(ccc1)cccc2
InChI:   InChI=1/C24H15NO2/c26-24-22(15-18-11-5-9-16-7-1-3-12-19(16)18)25-23(27-24)21-14-6-10-17-8-2-4-13-20(17)21/h1-15H/b22-15+

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Potential Energy
Epot(MMFF94)=132.425 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.389 g/mol  logS: -8.81277  SlogP: 5.3375  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0299672  Sterimol/B1: 2.17498  Sterimol/B2: 3.15304  Sterimol/B3: 4.17892
  Sterimol/B4: 6.2917  Sterimol/L: 17.3563 
 
 Surface and Volume Properties
  Accessible surface: 588.403  Positive charged surface: 300.693  Negative charged surface: 266.043  Volume: 336.25
  Hydrophobic surface: 530.757  Hydrophilic surface: 57.646
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.