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CHEMBLOCK-ZINC00087851

 MMsINC code: MMs00495658
Type: Neutral
Formula: C18H18N2O4
SMILES:   OC(=O)c1ccc(NC(=O)c2cc(NC(=O)C(C)C)ccc2)cc1
InChI:   InChI=1/C18H18N2O4/c1-11(2)16(21)20-15-5-3-4-13(10-15)17(22)19-14-8-6-12(7-9-14)18(23)24/h3-11H,1-2H3,(H,19,22)(H,20,21)(H,23,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.0542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.352 g/mol  logS: -3.93726  SlogP: 3.2316  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0227201  Sterimol/B1: 2.67796  Sterimol/B2: 3.26774  Sterimol/B3: 4.17823
  Sterimol/B4: 6.6253  Sterimol/L: 18.5457 
 
 Surface and Volume Properties
  Accessible surface: 595.68  Positive charged surface: 349.133  Negative charged surface: 246.547  Volume: 308
  Hydrophobic surface: 387.555  Hydrophilic surface: 208.125
 
 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


MMs00495659
CHEMBLOCK-ZINC00087851