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PUBCHEM-ZINC06598024

 MMsINC code: MMs03814721
Type: Neutral
Formula: C24H20N2O2
SMILES:   o1nc2CC(C\C(=N\O)\c2c1Cc1c2c(ccc1)cccc2)c1ccccc1
InChI:   InChI=1/C24H20N2O2/c27-25-21-13-19(16-7-2-1-3-8-16)14-22-24(21)23(28-26-22)15-18-11-6-10-17-9-4-5-12-20(17)18/h1-12,19,27H,13-15H2/b25-21+/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=118.056 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.436 g/mol  logS: -5.90773  SlogP: 5.32684  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102318  Sterimol/B1: 3.3674  Sterimol/B2: 4.30599  Sterimol/B3: 5.17567
  Sterimol/B4: 5.45562  Sterimol/L: 17.7574 
 
 Surface and Volume Properties
  Accessible surface: 618.047  Positive charged surface: 343.963  Negative charged surface: 265.092  Volume: 359.125
  Hydrophobic surface: 530.926  Hydrophilic surface: 87.121
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.