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ENAMINE-ZINC04524427

 MMsINC code: MMs01545806
Type: Neutral
Formula: C23H23NO6
SMILES:   o1nc(C)c(COc2cc(ccc2)C(OC(C(=O)c2ccc(OC)cc2)C)=O)c1C
InChI:   InChI=1/C23H23NO6/c1-14-21(15(2)30-24-14)13-28-20-7-5-6-18(12-20)23(26)29-16(3)22(25)17-8-10-19(27-4)11-9-17/h5-12,16H,13H2,1-4H3/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=118.21 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.438 g/mol  logS: -5.33486  SlogP: 4.57364  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0563668  Sterimol/B1: 2.14582  Sterimol/B2: 2.60271  Sterimol/B3: 6.88275
  Sterimol/B4: 7.05191  Sterimol/L: 21.7534 
 
 Surface and Volume Properties
  Accessible surface: 721.363  Positive charged surface: 421.604  Negative charged surface: 299.759  Volume: 388.875
  Hydrophobic surface: 595.129  Hydrophilic surface: 126.234
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.