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ENAMINE-ZINC00133155

 MMsINC code: MMs01224978
Type: Neutral
Formula: C18H16N2O5
SMILES:   o1c2c(cc1C(=O)NNC(=O)COc1ccc(OC)cc1)cccc2
InChI:   InChI=1/C18H16N2O5/c1-23-13-6-8-14(9-7-13)24-11-17(21)19-20-18(22)16-10-12-4-2-3-5-15(12)25-16/h2-10H,11H2,1H3,(H,19,21)(H,20,22)

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Potential Energy
Epot(MMFF94)=99.8251 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.335 g/mol  logS: -5.30885  SlogP: 2.2814  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00219761  Sterimol/B1: 2.37524  Sterimol/B2: 2.37975  Sterimol/B3: 3.12207
  Sterimol/B4: 5.52723  Sterimol/L: 22.4957 
 
 Surface and Volume Properties
  Accessible surface: 621.106  Positive charged surface: 376.786  Negative charged surface: 238.272  Volume: 312.75
  Hydrophobic surface: 480.688  Hydrophilic surface: 140.418
 
 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.