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ENAMINE-ZINC05077091

MMsINC code: MMs01584198

Type: Neutral
Formula: C18H15NO7
SMILES:   O1c2cc(C(=O)C)c(NC(=O)COC(=O)c3cc(O)ccc3)cc2OC1
InChI:   InChI=1/C18H15NO7/c1-10(20)13-6-15-16(26-9-25-15)7-14(13)19-17(22)8-24-18(23)11-3-2-4-12(21)5-11/h2-7,21H,8-9H2,1H3,(H,19,22)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=100.179 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.318 g/mol  logS: -3.66846  SlogP: 2.119  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0246863  Sterimol/B1: 2.46867  Sterimol/B2: 2.5449  Sterimol/B3: 4.07825
  Sterimol/B4: 8.71414  Sterimol/L: 17.7281 
 
 Surface and Volume Properties
  Accessible surface: 598.613  Positive charged surface: 371.56  Negative charged surface: 227.053  Volume: 311.125
  Hydrophobic surface: 387.656  Hydrophilic surface: 210.957
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.