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IBS-ZINC05501421

 MMsINC code: MMs01954260
Type: Neutral
Formula: C15H18N2O4
SMILES:   O1C(C(CC1=O)C(=O)NNC(=O)C(C)C)c1ccccc1
InChI:   InChI=1/C15H18N2O4/c1-9(2)14(19)16-17-15(20)11-8-12(18)21-13(11)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3,(H,16,19)(H,17,20)/t11-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=48.7762 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.319 g/mol  logS: -2.42181  SlogP: 1.1897  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0616885  Sterimol/B1: 2.93391  Sterimol/B2: 3.23051  Sterimol/B3: 3.67769
  Sterimol/B4: 7.41831  Sterimol/L: 16.0572 
 
 Surface and Volume Properties
  Accessible surface: 540.673  Positive charged surface: 309.563  Negative charged surface: 231.11  Volume: 274.5
  Hydrophobic surface: 350.782  Hydrophilic surface: 189.891
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: no related molecules available.