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ASINEX-ZINC00814188

 MMsINC code: MMs00177454
Type: Neutral
Formula: C19H19N3O4
SMILES:   O(C)c1ccc(NC(=O)C=2C(NC(=O)NC=2C)c2cc(O)ccc2)cc1
InChI:   InChI=1/C19H19N3O4/c1-11-16(18(24)21-13-6-8-15(26-2)9-7-13)17(22-19(25)20-11)12-4-3-5-14(23)10-12/h3-10,17,23H,1-2H3,(H,21,24)(H2,20,22,25)/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.861 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.378 g/mol  logS: -3.79425  SlogP: 2.7629  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134316  Sterimol/B1: 2.47667  Sterimol/B2: 3.70894  Sterimol/B3: 4.13588
  Sterimol/B4: 9.56862  Sterimol/L: 16.4234 
 
 Surface and Volume Properties
  Accessible surface: 583.501  Positive charged surface: 364.12  Negative charged surface: 219.382  Volume: 326.625
  Hydrophobic surface: 408.583  Hydrophilic surface: 174.918
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.