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PUBCHEM-ZINC02047891

 MMsINC code: MMs02865611
Type: Neutral
Formula: C15H20N2O4
SMILES:   OC(=O)c1cc(NC(=O)C(CC)CC)c(NC(=O)C)cc1
InChI:   InChI=1/C15H20N2O4/c1-4-10(5-2)14(19)17-13-8-11(15(20)21)6-7-12(13)16-9(3)18/h6-8,10H,4-5H2,1-3H3,(H,16,18)(H,17,19)(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.4706 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.335 g/mol  logS: -3.20716  SlogP: 2.7179  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0447201  Sterimol/B1: 2.78315  Sterimol/B2: 3.70239  Sterimol/B3: 4.34283
  Sterimol/B4: 8.31858  Sterimol/L: 12.5607 
 
 Surface and Volume Properties
  Accessible surface: 541.099  Positive charged surface: 343.414  Negative charged surface: 197.685  Volume: 280
  Hydrophobic surface: 338.184  Hydrophilic surface: 202.915
 
 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


MMs02865612
PUBCHEM-ZINC02047891