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ASINEX-ZINC05006574

 MMsINC code: MMs00434140
Type: Neutral
Formula: C15H16N2O7
SMILES:   O(C)c1cc(cc(OC)c1O)\C=C/1\NC(=O)N(CC(OC)=O)C\1=O
InChI:   InChI=1/C15H16N2O7/c1-22-10-5-8(6-11(23-2)13(10)19)4-9-14(20)17(15(21)16-9)7-12(18)24-3/h4-6,19H,7H2,1-3H3,(H,16,21)/b9-4+

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Potential Energy
Epot(MMFF94)=78.7861 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.3 g/mol  logS: -2.52074  SlogP: 0.4751  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0537719  Sterimol/B1: 2.95877  Sterimol/B2: 3.77512  Sterimol/B3: 4.29461
  Sterimol/B4: 6.43507  Sterimol/L: 16.5044 
 
 Surface and Volume Properties
  Accessible surface: 557.551  Positive charged surface: 422.919  Negative charged surface: 134.632  Volume: 289.875
  Hydrophobic surface: 360.409  Hydrophilic surface: 197.142
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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: no related molecules available.