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ENAMINE-ZINC03533540

 MMsINC code: MMs01495015
Type: Neutral
Formula: C14H15NO5
SMILES:   o1nc(C)c(C(Oc2c(OC)cccc2OC)=O)c1C
InChI:   InChI=1/C14H15NO5/c1-8-12(9(2)20-15-8)14(16)19-13-10(17-3)6-5-7-11(13)18-4/h5-7H,1-4H3

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Potential Energy
Epot(MMFF94)=95.821 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.276 g/mol  logS: -2.87283  SlogP: 2.52784  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0374222  Sterimol/B1: 2.50048  Sterimol/B2: 3.21978  Sterimol/B3: 3.47112
  Sterimol/B4: 8.38238  Sterimol/L: 12.9282 
 
 Surface and Volume Properties
  Accessible surface: 496.928  Positive charged surface: 319.743  Negative charged surface: 177.185  Volume: 256
  Hydrophobic surface: 434.434  Hydrophilic surface: 62.494
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.