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ENAMINE-ZINC03371951

 MMsINC code: MMs01402390
Type: Neutral
Formula: C20H15NO6
SMILES:   O1CCC(OC(=O)c2cc3c(cc2)C(=O)N(Cc2ccccc2)C3=O)C1=O
InChI:   InChI=1/C20H15NO6/c22-17-14-7-6-13(19(24)27-16-8-9-26-20(16)25)10-15(14)18(23)21(17)11-12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2/t16-/m1/s1

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Potential Energy
Epot(MMFF94)=67.2533 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.341 g/mol  logS: -4.84314  SlogP: 2.2215  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0631846  Sterimol/B1: 2.52062  Sterimol/B2: 3.19722  Sterimol/B3: 5.61313
  Sterimol/B4: 5.77323  Sterimol/L: 18.2099 
 
 Surface and Volume Properties
  Accessible surface: 605.101  Positive charged surface: 341.01  Negative charged surface: 264.091  Volume: 323.5
  Hydrophobic surface: 433.55  Hydrophilic surface: 171.551
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.