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NCID-ZINC01860516

 MMsINC code: MMs02373534
Type: Neutral
Formula: C23H22N2O6
SMILES:   O(C)c1ccc(cc1)C1CC(=O)CC(C12C(=O)NC(=O)NC2=O)c1ccc(OC)cc1
InChI:   InChI=1/C23H22N2O6/c1-30-16-7-3-13(4-8-16)18-11-15(26)12-19(14-5-9-17(31-2)10-6-14)23(18)20(27)24-22(29)25-21(23)28/h3-10,18-19H,11-12H2,1-2H3,(H2,24,25,27,28,29)/t18-,19-/m0/s1

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Potential Energy
Epot(MMFF94)=130.501 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.437 g/mol  logS: -3.91148  SlogP: 2.2865  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176191  Sterimol/B1: 3.19687  Sterimol/B2: 4.52216  Sterimol/B3: 5.14368
  Sterimol/B4: 6.659  Sterimol/L: 16.4238 
 
 Surface and Volume Properties
  Accessible surface: 611.405  Positive charged surface: 405.374  Negative charged surface: 206.031  Volume: 370.25
  Hydrophobic surface: 428.983  Hydrophilic surface: 182.422
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.