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CHEMBLOCK-ZINC04543826

 MMsINC code: MMs00555978
Type: Neutral
Formula: C24H20N2O2
SMILES:   O=[N+]([O-])c1ccc(cc1)-c1nc2c(c3c1CC(CC3)C)c1c(cc2)cccc1
InChI:   InChI=1/C24H20N2O2/c1-15-6-12-20-21(14-15)24(17-7-10-18(11-8-17)26(27)28)25-22-13-9-16-4-2-3-5-19(16)23(20)22/h2-5,7-11,13,15H,6,12,14H2,1H3/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=150.442 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.436 g/mol  logS: -9.11472  SlogP: 6.08794  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0382881  Sterimol/B1: 2.41171  Sterimol/B2: 2.80361  Sterimol/B3: 3.15418
  Sterimol/B4: 9.52371  Sterimol/L: 17.7395 
 
 Surface and Volume Properties
  Accessible surface: 596.799  Positive charged surface: 316.389  Negative charged surface: 264.774  Volume: 352.375
  Hydrophobic surface: 478.725  Hydrophilic surface: 118.074
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.