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ENAMINE-ZINC03507714

 MMsINC code: MMs01480827
Type: Neutral
Formula: C18H18N2O6
SMILES:   O1CCN(CC1)C(=O)COC(=O)c1cc2c(cc1)C(=O)N(CC=C)C2=O
InChI:   InChI=1/C18H18N2O6/c1-2-5-20-16(22)13-4-3-12(10-14(13)17(20)23)18(24)26-11-15(21)19-6-8-25-9-7-19/h2-4,10H,1,5-9,11H2

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Potential Energy
Epot(MMFF94)=72.7767 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.35 g/mol  logS: -3.17075  SlogP: 0.4842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.01948  Sterimol/B1: 2.46125  Sterimol/B2: 2.85885  Sterimol/B3: 4.01097
  Sterimol/B4: 5.57501  Sterimol/L: 20.1611 
 
 Surface and Volume Properties
  Accessible surface: 615.867  Positive charged surface: 399.92  Negative charged surface: 215.947  Volume: 321.5
  Hydrophobic surface: 395.08  Hydrophilic surface: 220.787
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.