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ENAMINE-ZINC03520548

 MMsINC code: MMs01488509
Type: Neutral
Formula: C20H25NO6
SMILES:   o1nc(C)c(COc2ccc(cc2OC)C(OCC(=O)C(C)(C)C)=O)c1C
InChI:   InChI=1/C20H25NO6/c1-12-15(13(2)27-21-12)10-25-16-8-7-14(9-17(16)24-6)19(23)26-11-18(22)20(3,4)5/h7-9H,10-11H2,1-6H3

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Potential Energy
Epot(MMFF94)=106.818 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.421 g/mol  logS: -3.85242  SlogP: 3.91744  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0664984  Sterimol/B1: 2.0664  Sterimol/B2: 3.07478  Sterimol/B3: 7.16023
  Sterimol/B4: 7.53981  Sterimol/L: 19.1934 
 
 Surface and Volume Properties
  Accessible surface: 684.288  Positive charged surface: 435.441  Negative charged surface: 248.847  Volume: 362.5
  Hydrophobic surface: 526.213  Hydrophilic surface: 158.075
 
 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.