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CHEMBRIDGE-ZINC02846438

 MMsINC code: MMs00726078
Type: Neutral
Formula: C24H18N2O6
SMILES:   o1c2c(cc1C(=O)C1C(N(Cc3occc3)C(=O)C1=O)c1cccnc1)cccc2OC
InChI:   InChI=1/C24H18N2O6/c1-30-17-8-2-5-14-11-18(32-23(14)17)21(27)19-20(15-6-3-9-25-12-15)26(24(29)22(19)28)13-16-7-4-10-31-16/h2-12,19-20H,13H2,1H3/t19-,20+/m0/s1

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Potential Energy
Epot(MMFF94)=89.0604 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.416 g/mol  logS: -5.6709  SlogP: 3.943  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110788  Sterimol/B1: 3.69188  Sterimol/B2: 5.38148  Sterimol/B3: 5.87902
  Sterimol/B4: 6.94661  Sterimol/L: 16.52 
 
 Surface and Volume Properties
  Accessible surface: 687.206  Positive charged surface: 395.46  Negative charged surface: 285.782  Volume: 388.125
  Hydrophobic surface: 549.359  Hydrophilic surface: 137.847
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00726080
CHEMBRIDGE-ZINC02846438


MMs00726081
CHEMBRIDGE-ZINC02846438


MMs00726079
CHEMBRIDGE-ZINC02846438