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PUBCHEM-ZINC00313561

 MMsINC code: MMs02652673
Type: Neutral
Formula: C18H18N2O4
SMILES:   OC(=O)c1ccccc1NC(=O)c1cc(NC(=O)CCC)ccc1
InChI:   InChI=1/C18H18N2O4/c1-2-6-16(21)19-13-8-5-7-12(11-13)17(22)20-15-10-4-3-9-14(15)18(23)24/h3-5,7-11H,2,6H2,1H3,(H,19,21)(H,20,22)(H,23,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.5194 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.352 g/mol  logS: -4.25071  SlogP: 3.3757  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0142459  Sterimol/B1: 2.54958  Sterimol/B2: 2.89027  Sterimol/B3: 3.55773
  Sterimol/B4: 7.8144  Sterimol/L: 17.4843 
 
 Surface and Volume Properties
  Accessible surface: 594.18  Positive charged surface: 366.901  Negative charged surface: 227.278  Volume: 307.375
  Hydrophobic surface: 413.681  Hydrophilic surface: 180.499
 
 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


MMs02652674
PUBCHEM-ZINC00313561