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PUBCHEM-ZINC05351333

 MMsINC code: MMs03245666
Type: Neutral
Formula: C25H29NO5
SMILES:   O(\C(=N\OC)\c1ccc(cc1)C(=O)C(C)(C)C)C(=O)c1ccc(cc1)C(=O)C(C)
(C)C
InChI:   InChI=1/C25H29NO5/c1-24(2,3)20(27)16-8-12-18(13-9-16)22(26-30-7)31-23(29)19-14-10-17(11-15-19)21(28)25(4,5)6/h8-15H,1-7H3/b26-22-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=210.477 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 423.509 g/mol  logS: -5.893  SlogP: 5.3092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0388862  Sterimol/B1: 2.82254  Sterimol/B2: 3.6841  Sterimol/B3: 3.71159
  Sterimol/B4: 10.2103  Sterimol/L: 19.4916 
 
 Surface and Volume Properties
  Accessible surface: 738.688  Positive charged surface: 467.35  Negative charged surface: 271.338  Volume: 419.875
  Hydrophobic surface: 546.035  Hydrophilic surface: 192.653
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.