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ENAMINE-ZINC05391356

 MMsINC code: MMs01608849
Type: Neutral
Formula: C19H19NO5
SMILES:   O1c2c(ccc(C)c2C)C(=CC1=O)COC(=O)c1c(noc1C)CC
InChI:   InChI=1/C19H19NO5/c1-5-15-17(12(4)25-20-15)19(22)23-9-13-8-16(21)24-18-11(3)10(2)6-7-14(13)18/h6-8H,5,9H2,1-4H3

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Potential Energy
Epot(MMFF94)=85.4779 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.363 g/mol  logS: -5.06595  SlogP: 3.32163  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107643  Sterimol/B1: 2.27693  Sterimol/B2: 2.97708  Sterimol/B3: 5.56766
  Sterimol/B4: 7.68435  Sterimol/L: 16.3134 
 
 Surface and Volume Properties
  Accessible surface: 603.399  Positive charged surface: 336.462  Negative charged surface: 266.937  Volume: 320.5
  Hydrophobic surface: 468.678  Hydrophilic surface: 134.721
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.