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ENAMINE-ZINC06996984

 MMsINC code: MMs01717457
Type: Neutral
Formula: C19H14N2O5
SMILES:   O1c2c(OCC1C(=O)n1ncc(c1)C(=O)c1ccccc1O)cccc2
InChI:   InChI=1/C19H14N2O5/c22-14-6-2-1-5-13(14)18(23)12-9-20-21(10-12)19(24)17-11-25-15-7-3-4-8-16(15)26-17/h1-10,17,22H,11H2/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=111.701 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.33 g/mol  logS: -3.85704  SlogP: 2.2999  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0494501  Sterimol/B1: 2.89678  Sterimol/B2: 3.02427  Sterimol/B3: 4.73474
  Sterimol/B4: 5.35918  Sterimol/L: 18.5515 
 
 Surface and Volume Properties
  Accessible surface: 593.559  Positive charged surface: 337.656  Negative charged surface: 255.903  Volume: 311.5
  Hydrophobic surface: 440.793  Hydrophilic surface: 152.766
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.