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CHEMBLOCK-ZINC02248176

 MMsINC code: MMs00530800
Type: Neutral
Formula: C28H22N2O
SMILES:   O(Cc1ccccc1)c1ccc(cc1)-c1[nH]c(c(n1)-c1ccccc1)-c1ccccc1
InChI:   InChI=1/C28H22N2O/c1-4-10-21(11-5-1)20-31-25-18-16-24(17-19-25)28-29-26(22-12-6-2-7-13-22)27(30-28)23-14-8-3-9-15-23/h1-19H,20H2,(H,29,30)

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Potential Energy
Epot(MMFF94)=106.929 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.497 g/mol  logS: -9.2834  SlogP: 7.2561  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0280693  Sterimol/B1: 3.59927  Sterimol/B2: 3.66514  Sterimol/B3: 5.74383
  Sterimol/B4: 6.21346  Sterimol/L: 21.0661 
 
 Surface and Volume Properties
  Accessible surface: 732.179  Positive charged surface: 416.783  Negative charged surface: 315.396  Volume: 411.375
  Hydrophobic surface: 702.5  Hydrophilic surface: 29.679
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.