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AURORAFEINCHEMIE-ZINC04072162

 MMsINC code: MMs00465796
Type: Neutral
Formula: C20H17NO4
SMILES:   O(C(C(OC)=O)c1ccccc1)C(=O)Nc1c2c(ccc1)cccc2
InChI:   InChI=1/C20H17NO4/c1-24-19(22)18(15-9-3-2-4-10-15)25-20(23)21-17-13-7-11-14-8-5-6-12-16(14)17/h2-13,18H,1H3,(H,21,23)/t18-/m1/s1

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Potential Energy
Epot(MMFF94)=84.5144 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.359 g/mol  logS: -5.71774  SlogP: 4.3981  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0519268  Sterimol/B1: 2.18344  Sterimol/B2: 2.46568  Sterimol/B3: 4.74414
  Sterimol/B4: 8.23643  Sterimol/L: 16.088 
 
 Surface and Volume Properties
  Accessible surface: 599.186  Positive charged surface: 356.23  Negative charged surface: 232.574  Volume: 320.25
  Hydrophobic surface: 533.074  Hydrophilic surface: 66.112
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.