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CHEMSTAR-ZINC00755030

 MMsINC code: MMs01076482
Type: Neutral
Formula: C19H19N3O5
SMILES:   O(CC(=O)Nc1ccc(OC)cc1)c1cc(ccc1)C1(NC(=O)NC1=O)C
InChI:   InChI=1/C19H19N3O5/c1-19(17(24)21-18(25)22-19)12-4-3-5-15(10-12)27-11-16(23)20-13-6-8-14(26-2)9-7-13/h3-10H,11H2,1-2H3,(H,20,23)(H2,21,22,24,25)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.5175 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.377 g/mol  logS: -4.33278  SlogP: 2.0788  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0341447  Sterimol/B1: 2.06426  Sterimol/B2: 3.91219  Sterimol/B3: 5.61588
  Sterimol/B4: 5.9442  Sterimol/L: 20.1371 
 
 Surface and Volume Properties
  Accessible surface: 632.344  Positive charged surface: 393.464  Negative charged surface: 238.879  Volume: 335.5
  Hydrophobic surface: 412.39  Hydrophilic surface: 219.954
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.