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ENAMINE-ZINC03546360

 MMsINC code: MMs01501024
Type: Neutral
Formula: C20H18N2O5
SMILES:   O(C(=O)c1ccc(cc1)C(=O)c1ccccc1)CC(=O)NC(=O)NCC=C
InChI:   InChI=1/C20H18N2O5/c1-2-12-21-20(26)22-17(23)13-27-19(25)16-10-8-15(9-11-16)18(24)14-6-4-3-5-7-14/h2-11H,1,12-13H2,(H2,21,22,23,26)

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Potential Energy
Epot(MMFF94)=84.105 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.373 g/mol  logS: -4.73675  SlogP: 2.0862  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0118831  Sterimol/B1: 2.41645  Sterimol/B2: 3.61502  Sterimol/B3: 4.16093
  Sterimol/B4: 6.59484  Sterimol/L: 22.7141 
 
 Surface and Volume Properties
  Accessible surface: 669.531  Positive charged surface: 380.428  Negative charged surface: 289.103  Volume: 341.5
  Hydrophobic surface: 427.517  Hydrophilic surface: 242.014
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.