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PUBCHEM-ZINC06793282

 MMsINC code: MMs03861513
Type: Neutral
Formula: C20H24N2O6
SMILES:   O(C)c1c(OC)cc(cc1OC)C(=O)NC(C(=O)NCc1ccccc1)CO
InChI:   InChI=1/C20H24N2O6/c1-26-16-9-14(10-17(27-2)18(16)28-3)19(24)22-15(12-23)20(25)21-11-13-7-5-4-6-8-13/h4-10,15,23H,11-12H2,1-3H3,(H,21,25)(H,22,24)/t15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.528 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.42 g/mol  logS: -3.42008  SlogP: 1.3859  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0559458  Sterimol/B1: 2.0475  Sterimol/B2: 3.8387  Sterimol/B3: 5.09873
  Sterimol/B4: 9.18002  Sterimol/L: 20.382 
 
 Surface and Volume Properties
  Accessible surface: 698.193  Positive charged surface: 514.321  Negative charged surface: 183.872  Volume: 365.5
  Hydrophobic surface: 556.653  Hydrophilic surface: 141.54
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.