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AURORAFEINCHEMIE-ZINC02414656

MMsINC code: MMs00453254

Type: Neutral
Formula: C19H22N2O3
SMILES:   O(C(=O)C(NC(=O)NC(C)c1ccccc1)Cc1ccccc1)C
InChI:   InChI=1/C19H22N2O3/c1-14(16-11-7-4-8-12-16)20-19(23)21-17(18(22)24-2)13-15-9-5-3-6-10-15/h3-12,14,17H,13H2,1-2H3,(H2,20,21,23)/t14-,17+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=45.1946 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.396 g/mol  logS: -3.93698  SlogP: 2.92657  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.112325  Sterimol/B1: 2.18323  Sterimol/B2: 5.15829  Sterimol/B3: 5.87388
  Sterimol/B4: 7.81135  Sterimol/L: 14.8815 
 
 Surface and Volume Properties
  Accessible surface: 618.855  Positive charged surface: 388.302  Negative charged surface: 230.552  Volume: 329
  Hydrophobic surface: 532.065  Hydrophilic surface: 86.79
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.