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ASINEX-ZINC00819788

 MMsINC code: MMs00180575
Type: Neutral
Formula: C24H24N2O6
SMILES:   O(C(CCOc1ccc(cc1)C1CC(=O)NC1=O)C)c1ccc(cc1)C1CC(=O)NC1=O
InChI:   InChI=1/C24H24N2O6/c1-14(32-18-8-4-16(5-9-18)20-13-22(28)26-24(20)30)10-11-31-17-6-2-15(3-7-17)19-12-21(27)25-23(19)29/h2-9,14,19-20H,10-13H2,1H3,(H,25,27,29)(H,26,28,30)/t14-,19-,20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.975 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 436.464 g/mol  logS: -4.80942  SlogP: 2.1832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0456459  Sterimol/B1: 2.19397  Sterimol/B2: 3.45228  Sterimol/B3: 4.26279
  Sterimol/B4: 10.1312  Sterimol/L: 18.5055 
 
 Surface and Volume Properties
  Accessible surface: 733.066  Positive charged surface: 427.728  Negative charged surface: 305.338  Volume: 401
  Hydrophobic surface: 450.928  Hydrophilic surface: 282.138
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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: no related molecules available.