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CHEMSTAR-ZINC03508325

 MMsINC code: MMs01085591
Type: Neutral
Formula: C23H23NO6
SMILES:   O=C1N(CCCOC)C(=O)c2c1cc(cc2)C(OCC(=O)c1cc(ccc1C)C)=O
InChI:   InChI=1/C23H23NO6/c1-14-5-6-15(2)18(11-14)20(25)13-30-23(28)16-7-8-17-19(12-16)22(27)24(21(17)26)9-4-10-29-3/h5-8,11-12H,4,9-10,13H2,1-3H3

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Potential Energy
Epot(MMFF94)=87.59 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.438 g/mol  logS: -5.70796  SlogP: 2.97564  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0155192  Sterimol/B1: 2.0069  Sterimol/B2: 3.1198  Sterimol/B3: 3.92882
  Sterimol/B4: 7.59586  Sterimol/L: 23.5934 
 
 Surface and Volume Properties
  Accessible surface: 717.369  Positive charged surface: 465.2  Negative charged surface: 252.17  Volume: 387.5
  Hydrophobic surface: 570.74  Hydrophilic surface: 146.629
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.