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CHEMBLOCK-ZINC04575606

 MMsINC code: MMs00557938
Type: Neutral
Formula: C24H20N2O2
SMILES:   O=[N+]([O-])c1ccc(cc1)-c1nc2c(c3CC(CCc13)C)c1c(cc2)cccc1
InChI:   InChI=1/C24H20N2O2/c1-15-6-12-20-21(14-15)23-19-5-3-2-4-16(19)9-13-22(23)25-24(20)17-7-10-18(11-8-17)26(27)28/h2-5,7-11,13,15H,6,12,14H2,1H3/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=150.463 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: 0.0384335  Sterimol/B1: 2.31512  Sterimol/B2: 2.6682  Sterimol/B3: 3.30634
  Sterimol/B4: 9.94507  Sterimol/L: 17.6772 
 
 Surface and Volume Properties
  Accessible surface: 604.558  Positive charged surface: 314.482  Negative charged surface: 270.937  Volume: 352.125
  Hydrophobic surface: 483.992  Hydrophilic surface: 120.566
 
 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.