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CHEMBLOCK-ZINC01061717

 MMsINC code: MMs00511976
Type: Neutral
Formula: C16H13NO5
SMILES:   O1C2C3C(C1C=C2)C(=O)N(c1ccccc1C(OC)=O)C3=O
InChI:   InChI=1/C16H13NO5/c1-21-16(20)8-4-2-3-5-9(8)17-14(18)12-10-6-7-11(22-10)13(12)15(17)19/h2-7,10-13H,1H3/t10-,11+,12-,13+

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Potential Energy
Epot(MMFF94)=82.2514 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.282 g/mol  logS: -2.85796  SlogP: 0.916  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107989  Sterimol/B1: 1.969  Sterimol/B2: 3.98309  Sterimol/B3: 4.00643
  Sterimol/B4: 8.97616  Sterimol/L: 12.8013 
 
 Surface and Volume Properties
  Accessible surface: 496.713  Positive charged surface: 313.71  Negative charged surface: 183.003  Volume: 262.125
  Hydrophobic surface: 356.782  Hydrophilic surface: 139.931
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.