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PUBCHEM-ZINC05299041

 MMsINC code: MMs03235530
Type: Neutral
Formula: C18H24N2O5
SMILES:   O(C)c1cc2c(n(CC(=O)NO)c(C)c2CC(OC(C)(C)C)=O)cc1
InChI:   InChI=1/C18H24N2O5/c1-11-13(9-17(22)25-18(2,3)4)14-8-12(24-5)6-7-15(14)20(11)10-16(21)19-23/h6-8,23H,9-10H2,1-5H3,(H,19,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.793 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.399 g/mol  logS: -3.43934  SlogP: 2.61429  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0729313  Sterimol/B1: 2.44248  Sterimol/B2: 3.2635  Sterimol/B3: 3.76564
  Sterimol/B4: 10.6962  Sterimol/L: 16.2612 
 
 Surface and Volume Properties
  Accessible surface: 622.396  Positive charged surface: 419.947  Negative charged surface: 198.84  Volume: 335.75
  Hydrophobic surface: 424.826  Hydrophilic surface: 197.57
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.