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AURORAFEINCHEMIE-ZINC06666014

 MMsINC code: MMs00478321
Type: Neutral
Formula: C15H11NO5
SMILES:   OC1(c2ccc(O)cc2O)C(=O)c2c(NC1=O)cccc2
InChI:   InChI=1/C15H11NO5/c17-8-5-6-10(12(18)7-8)15(21)13(19)9-3-1-2-4-11(9)16-14(15)20/h1-7,17-18,21H,(H,16,20)/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=86.8227 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.255 g/mol  logS: -2.88218  SlogP: 1.4319  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.336849  Sterimol/B1: 2.71139  Sterimol/B2: 3.33531  Sterimol/B3: 5.82408
  Sterimol/B4: 6.12456  Sterimol/L: 12.0125 
 
 Surface and Volume Properties
  Accessible surface: 463.891  Positive charged surface: 253.403  Negative charged surface: 210.488  Volume: 244
  Hydrophobic surface: 264.264  Hydrophilic surface: 199.627
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.