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CHEMBRIDGE-ZINC01066582

 MMsINC code: MMs00657135
Type: Neutral
Formula: C25H24N2O4
SMILES:   OC(=O)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(C)(C)C)cc1
InChI:   InChI=1/C25H24N2O4/c1-25(2,3)18-12-8-16(9-13-18)22(28)27-21-7-5-4-6-20(21)23(29)26-19-14-10-17(11-15-19)24(30)31/h4-15H,1-3H3,(H,26,29)(H,27,28)(H,30,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=136.715 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.477 g/mol  logS: -7.31384  SlogP: 5.1869  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0314633  Sterimol/B1: 2.4772  Sterimol/B2: 4.18469  Sterimol/B3: 7.22557
  Sterimol/B4: 8.45978  Sterimol/L: 17.3025 
 
 Surface and Volume Properties
  Accessible surface: 705.411  Positive charged surface: 406.917  Negative charged surface: 298.494  Volume: 400.375
  Hydrophobic surface: 502.293  Hydrophilic surface: 203.118
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00657136
CHEMBRIDGE-ZINC01066582