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CHEMBLOCK-ZINC04615522

 MMsINC code: MMs00562137
Type: Neutral
Formula: C24H20N2O2
SMILES:   O=[N+]([O-])c1ccc(cc1)-c1nc2c(c3c1CCCC3C)c1c(cc2)cccc1
InChI:   InChI=1/C24H20N2O2/c1-15-5-4-8-20-22(15)23-19-7-3-2-6-16(19)11-14-21(23)25-24(20)17-9-12-18(13-10-17)26(27)28/h2-3,6-7,9-15H,4-5,8H2,1H3/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=153.965 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.436 g/mol  logS: -9.11472  SlogP: 6.40297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0582013  Sterimol/B1: 2.39226  Sterimol/B2: 3.59521  Sterimol/B3: 4.53681
  Sterimol/B4: 7.35215  Sterimol/L: 17.6666 
 
 Surface and Volume Properties
  Accessible surface: 593.983  Positive charged surface: 315.861  Negative charged surface: 266.645  Volume: 349.75
  Hydrophobic surface: 478.923  Hydrophilic surface: 115.06
 
 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.