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ASINEX-ZINC00810190

 MMsINC code: MMs00174945
Type: Neutral
Formula: C20H24N2O4
SMILES:   O(CC(O)Cn1c2c(nc1CC)cccc2)c1cc(OC)cc(OC)c1
InChI:   InChI=1/C20H24N2O4/c1-4-20-21-18-7-5-6-8-19(18)22(20)12-14(23)13-26-17-10-15(24-2)9-16(11-17)25-3/h5-11,14,23H,4,12-13H2,1-3H3/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=87.8422 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.422 g/mol  logS: -3.63559  SlogP: 3.32217  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0800363  Sterimol/B1: 2.39313  Sterimol/B2: 4.24242  Sterimol/B3: 4.87075
  Sterimol/B4: 8.80736  Sterimol/L: 18.3114 
 
 Surface and Volume Properties
  Accessible surface: 649.316  Positive charged surface: 461.613  Negative charged surface: 187.703  Volume: 353.125
  Hydrophobic surface: 543.841  Hydrophilic surface: 105.475
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.