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CHEMBLOCK-ZINC04113519

 MMsINC code: MMs00542397
Type: Neutral
Formula: C20H20N2O5
SMILES:   O(CCOC(=O)C=1C(NC(=O)NC=1C)c1cc(O)ccc1)c1ccccc1
InChI:   InChI=1/C20H20N2O5/c1-13-17(19(24)27-11-10-26-16-8-3-2-4-9-16)18(22-20(25)21-13)14-6-5-7-15(23)12-14/h2-9,12,18,23H,10-11H2,1H3,(H2,21,22,25)/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.458 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.389 g/mol  logS: -4.00033  SlogP: 2.7378  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.157409  Sterimol/B1: 2.52653  Sterimol/B2: 4.13069  Sterimol/B3: 4.90826
  Sterimol/B4: 9.50791  Sterimol/L: 15.3626 
 
 Surface and Volume Properties
  Accessible surface: 617.127  Positive charged surface: 373.45  Negative charged surface: 243.678  Volume: 341.5
  Hydrophobic surface: 444.264  Hydrophilic surface: 172.863
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.