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CHEMSTAR-ZINC00694549

MMsINC code: MMs01076234

Type: Neutral
Formula: C19H19NO6
SMILES:   O(CC(=O)Nc1cc(cc(c1)C(OC)=O)C(OC)=O)c1cc(ccc1)C
InChI:   InChI=1/C19H19NO6/c1-12-5-4-6-16(7-12)26-11-17(21)20-15-9-13(18(22)24-2)8-14(10-15)19(23)25-3/h4-10H,11H2,1-3H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=99.7545 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.362 g/mol  logS: -4.66907  SlogP: 2.58572  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0189962  Sterimol/B1: 2.50388  Sterimol/B2: 3.85563  Sterimol/B3: 5.11552
  Sterimol/B4: 6.35977  Sterimol/L: 19.895 
 
 Surface and Volume Properties
  Accessible surface: 651.784  Positive charged surface: 442.172  Negative charged surface: 209.612  Volume: 333.625
  Hydrophobic surface: 518.691  Hydrophilic surface: 133.093
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.