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PUBCHEM-ZINC01123025

 MMsINC code: MMs02774746
Type: Neutral
Formula: C23H24N2O5
SMILES:   O(C)c1cc(ccc1)C(O)(C(=O)NNc1ccc(OC)cc1)c1cc(OC)ccc1
InChI:   InChI=1/C23H24N2O5/c1-28-19-12-10-18(11-13-19)24-25-22(26)23(27,16-6-4-8-20(14-16)29-2)17-7-5-9-21(15-17)30-3/h4-15,24,27H,1-3H3,(H,25,26)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=172.145 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.454 g/mol  logS: -4.76866  SlogP: 3.4031  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12989  Sterimol/B1: 3.81013  Sterimol/B2: 4.96193  Sterimol/B3: 5.1913
  Sterimol/B4: 7.21285  Sterimol/L: 19.0876 
 
 Surface and Volume Properties
  Accessible surface: 711.07  Positive charged surface: 484.67  Negative charged surface: 226.4  Volume: 387.625
  Hydrophobic surface: 616.037  Hydrophilic surface: 95.033
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.