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VITASM-ZINC04575145

 MMsINC code: MMs03953023
Type: Neutral
Formula: C19H20N2O4
SMILES:   OC(=O)c1ccc(NC(=O)c2cc(NC(=O)CC(C)C)ccc2)cc1
InChI:   InChI=1/C19H20N2O4/c1-12(2)10-17(22)20-16-5-3-4-14(11-16)18(23)21-15-8-6-13(7-9-15)19(24)25/h3-9,11-12H,10H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.7072 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.379 g/mol  logS: -4.76593  SlogP: 3.6217  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0225902  Sterimol/B1: 2.50836  Sterimol/B2: 2.78459  Sterimol/B3: 3.20598
  Sterimol/B4: 9.10946  Sterimol/L: 18.5494 
 
 Surface and Volume Properties
  Accessible surface: 622.674  Positive charged surface: 374.034  Negative charged surface: 248.641  Volume: 322.75
  Hydrophobic surface: 407.67  Hydrophilic surface: 215.004
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs03953024
VITASM-ZINC04575145