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NANOSIN-ZINC01506225

 MMsINC code: MMs02195085
Type: Neutral
Formula: C24H18N2O2
SMILES:   Oc1ccccc1\C=N\c1cc(ccc1)C(=O)Nc1c2c(ccc1)cccc2
InChI:   InChI=1/C24H18N2O2/c27-23-14-4-2-8-19(23)16-25-20-11-5-10-18(15-20)24(28)26-22-13-6-9-17-7-1-3-12-21(17)22/h1-16,27H,(H,26,28)/b25-16+

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Potential Energy
Epot(MMFF94)=121.701 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.42 g/mol  logS: -6.79554  SlogP: 5.5483  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0187503  Sterimol/B1: 2.32295  Sterimol/B2: 3.91096  Sterimol/B3: 4.16077
  Sterimol/B4: 6.41417  Sterimol/L: 20.5761 
 
 Surface and Volume Properties
  Accessible surface: 648.94  Positive charged surface: 352.475  Negative charged surface: 286.109  Volume: 355.375
  Hydrophobic surface: 568.974  Hydrophilic surface: 79.966
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.