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NCID-ZINC01562214

 MMsINC code: MMs02224217
Type: Neutral
Formula: C23H22N2O5
SMILES:   O(Cc1ccccc1)c1nc(nc(OCc2ccccc2)c1)CC(=O)C(OCC)=O
InChI:   InChI=1/C23H22N2O5/c1-2-28-23(27)19(26)13-20-24-21(29-15-17-9-5-3-6-10-17)14-22(25-20)30-16-18-11-7-4-8-12-18/h3-12,14H,2,13,15-16H2,1H3

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Potential Energy
Epot(MMFF94)=58.279 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.438 g/mol  logS: -5.4804  SlogP: 3.84207  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0842978  Sterimol/B1: 2.53932  Sterimol/B2: 2.90362  Sterimol/B3: 4.82832
  Sterimol/B4: 13.2375  Sterimol/L: 18.7322 
 
 Surface and Volume Properties
  Accessible surface: 764.78  Positive charged surface: 472.753  Negative charged surface: 292.027  Volume: 391.75
  Hydrophobic surface: 617.677  Hydrophilic surface: 147.103
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.