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NCID-ZINC01669300

 MMsINC code: MMs02305427
Type: Neutral
Formula: C19H24N2O7
SMILES:   O(C)c1c(OC)cc(NC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1OC
InChI:   InChI=1/C19H24N2O7/c1-23-13-7-11(8-14(24-2)17(13)27-5)20-19(22)21-12-9-15(25-3)18(28-6)16(10-12)26-4/h7-10H,1-6H3,(H2,20,21,22)

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Potential Energy
Epot(MMFF94)=146.881 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.408 g/mol  logS: -3.55433  SlogP: 3.3822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0895415  Sterimol/B1: 2.2071  Sterimol/B2: 2.24003  Sterimol/B3: 6.0372
  Sterimol/B4: 7.81621  Sterimol/L: 18.5333 
 
 Surface and Volume Properties
  Accessible surface: 685.267  Positive charged surface: 600.218  Negative charged surface: 85.0487  Volume: 364.875
  Hydrophobic surface: 587.013  Hydrophilic surface: 98.254
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 7  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.