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ENAMINE-ZINC05577549

 MMsINC code: MMs01624861
Type: Neutral
Formula: C18H21NO6
SMILES:   O(C)c1c(OC)cc(NC(=O)COc2ccc(OC)cc2)cc1OC
InChI:   InChI=1/C18H21NO6/c1-21-13-5-7-14(8-6-13)25-11-17(20)19-12-9-15(22-2)18(24-4)16(10-12)23-3/h5-10H,11H2,1-4H3,(H,19,20)

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Potential Energy
Epot(MMFF94)=134.257 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.367 g/mol  logS: -3.63321  SlogP: 2.7385  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0176186  Sterimol/B1: 2.51222  Sterimol/B2: 3.41989  Sterimol/B3: 4.67301
  Sterimol/B4: 6.9762  Sterimol/L: 20.4158 
 
 Surface and Volume Properties
  Accessible surface: 640.586  Positive charged surface: 505.892  Negative charged surface: 134.694  Volume: 327.5
  Hydrophobic surface: 558.944  Hydrophilic surface: 81.642
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.