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NCID-ZINC06005328

 MMsINC code: MMs02515812
Type: Neutral
Formula: C24H26N2O7
SMILES:   O(Cc1ccccc1)C(=O)CC(NC(OCc1ccccc1)=O)C(=O)NC1CC1C(OC)=O
InChI:   InChI=1/C24H26N2O7/c1-31-23(29)18-12-19(18)25-22(28)20(13-21(27)32-14-16-8-4-2-5-9-16)26-24(30)33-15-17-10-6-3-7-11-17/h2-11,18-20H,12-15H2,1H3,(H,25,28)(H,26,30)/t18-,19+,20-/m0/s1

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Potential Energy
Epot(MMFF94)=64.9702 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 454.479 g/mol  logS: -4.35365  SlogP: 2.6254  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.101085  Sterimol/B1: 2.23671  Sterimol/B2: 2.4277  Sterimol/B3: 7.15878
  Sterimol/B4: 13.9151  Sterimol/L: 18.2429 
 
 Surface and Volume Properties
  Accessible surface: 822.616  Positive charged surface: 518.937  Negative charged surface: 303.679  Volume: 430
  Hydrophobic surface: 653.833  Hydrophilic surface: 168.783
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.