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IBS-ZINC06757637

 MMsINC code: MMs01968505
Type: Neutral
Formula: C19H20N4O5
SMILES:   O(C)c1cc(OC)ccc1NC(=O)CNC(=O)N1CC(=O)Nc2c1cccc2
InChI:   InChI=1/C19H20N4O5/c1-27-12-7-8-14(16(9-12)28-2)22-17(24)10-20-19(26)23-11-18(25)21-13-5-3-4-6-15(13)23/h3-9H,10-11H2,1-2H3,(H,20,26)(H,21,25)(H,22,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=119.943 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.392 g/mol  logS: -3.77032  SlogP: 1.8106  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0104749  Sterimol/B1: 2.56221  Sterimol/B2: 2.90208  Sterimol/B3: 3.35915
  Sterimol/B4: 8.70046  Sterimol/L: 19.7191 
 
 Surface and Volume Properties
  Accessible surface: 652.896  Positive charged surface: 460.234  Negative charged surface: 192.663  Volume: 345.125
  Hydrophobic surface: 477.116  Hydrophilic surface: 175.78
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.