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CHEMDIV-ZINC03660267

 MMsINC code: MMs00915639
Type: Ionized
Formula: C24H19N2O4-
SMILES:   O(c1ccc(NC(=O)Cc2c3c(n(C)c2C(=O)[O-])cccc3)cc1)c1ccccc1
InChI:   InChI=1/C24H20N2O4/c1-26-21-10-6-5-9-19(21)20(23(26)24(28)29)15-22(27)25-16-11-13-18(14-12-16)30-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,25,27)(H,28,29)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.4883 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.426 g/mol  logS: -5.76573  SlogP: 3.87447  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.069133  Sterimol/B1: 2.69093  Sterimol/B2: 3.40865  Sterimol/B3: 5.66524
  Sterimol/B4: 7.622  Sterimol/L: 18.4021 
 
 Surface and Volume Properties
  Accessible surface: 657.851  Positive charged surface: 368.035  Negative charged surface: 284.529  Volume: 379.125
  Hydrophobic surface: 569.688  Hydrophilic surface: 88.163
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 0
 
 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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Parent related molecule:


MMs00915638
CHEMDIV-ZINC03660267