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CHEMBRIDGE-ZINC02877602

 MMsINC code: MMs00732437
Type: Neutral
Formula: C15H20N2O4
SMILES:   OC(=O)CCC(=O)Nc1ccc(cc1)C(=O)NC(C)(C)C
InChI:   InChI=1/C15H20N2O4/c1-15(2,3)17-14(21)10-4-6-11(7-5-10)16-12(18)8-9-13(19)20/h4-7H,8-9H2,1-3H3,(H,16,18)(H,17,21)(H,19,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.4078 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.335 g/mol  logS: -2.47441  SlogP: 2.0182  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0290412  Sterimol/B1: 2.25731  Sterimol/B2: 2.97603  Sterimol/B3: 4.70792
  Sterimol/B4: 4.89069  Sterimol/L: 19.1093 
 
 Surface and Volume Properties
  Accessible surface: 558.044  Positive charged surface: 354.015  Negative charged surface: 204.029  Volume: 280.375
  Hydrophobic surface: 339.854  Hydrophilic surface: 218.19
 
 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


MMs00732438
CHEMBRIDGE-ZINC02877602