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AURORAFEINCHEMIE-ZINC02551471

MMsINC code: MMs00454214

Type: Neutral
Formula: C19H19N3O3
SMILES:   O(C(=O)N(C)C)C=1c2ccc(nc2NC(=O)C=1Cc1ccccc1)C
InChI:   InChI=1/C19H19N3O3/c1-12-9-10-14-16(25-19(24)22(2)3)15(18(23)21-17(14)20-12)11-13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,20,21,23)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=52.0898 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.379 g/mol  logS: -3.53808  SlogP: 2.99409  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155094  Sterimol/B1: 2.55866  Sterimol/B2: 3.2053  Sterimol/B3: 4.76126
  Sterimol/B4: 9.41735  Sterimol/L: 14.495 
 
 Surface and Volume Properties
  Accessible surface: 579.927  Positive charged surface: 392.238  Negative charged surface: 187.689  Volume: 324.25
  Hydrophobic surface: 477.195  Hydrophilic surface: 102.732
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.