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PUBCHEM-ZINC05125509

 MMsINC code: MMs03205621
Type: Neutral
Formula: C19H20N2O7
SMILES:   O1C(C2OC(OC2C1N1C=CC(=O)NC1=O)(C)C)COC(=O)c1ccccc1
InChI:   InChI=1/C19H20N2O7/c1-19(2)27-14-12(10-25-17(23)11-6-4-3-5-7-11)26-16(15(14)28-19)21-9-8-13(22)20-18(21)24/h3-9,12,14-16H,10H2,1-2H3,(H,20,22,24)/t12-,14+,15-,16+/m1/s1

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Potential Energy
Epot(MMFF94)=84.1198 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.376 g/mol  logS: -3.79984  SlogP: 1.1539  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0527559  Sterimol/B1: 2.32687  Sterimol/B2: 3.81384  Sterimol/B3: 5.11224
  Sterimol/B4: 7.75865  Sterimol/L: 16.8529 
 
 Surface and Volume Properties
  Accessible surface: 624.344  Positive charged surface: 364.077  Negative charged surface: 260.268  Volume: 340.375
  Hydrophobic surface: 409.074  Hydrophilic surface: 215.27
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.