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IBS-ZINC05388319

 MMsINC code: MMs01945037
Type: Neutral
Formula: C15H20N2O4
SMILES:   OC(=O)C(NC(=O)Nc1ccc(cc1)C(=O)C)C(CC)C
InChI:   InChI=1/C15H20N2O4/c1-4-9(2)13(14(19)20)17-15(21)16-12-7-5-11(6-8-12)10(3)18/h5-9,13H,4H2,1-3H3,(H,19,20)(H2,16,17,21)/t9-,13-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.288 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.335 g/mol  logS: -2.98227  SlogP: 2.51  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0504406  Sterimol/B1: 2.51405  Sterimol/B2: 3.16753  Sterimol/B3: 4.63868
  Sterimol/B4: 5.64653  Sterimol/L: 17.8175 
 
 Surface and Volume Properties
  Accessible surface: 543.13  Positive charged surface: 334.08  Negative charged surface: 209.049  Volume: 279.125
  Hydrophobic surface: 339.282  Hydrophilic surface: 203.848
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs01945038
IBS-ZINC05388319