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CHEMBLOCK-ZINC03894341

 MMsINC code: MMs00540798
Type: Neutral
Formula: C19H23NO5
SMILES:   o1nc2c(C(C(C(=O)C)C(O)(C2)C)c2cc(OC)c(OC)cc2)c1C
InChI:   InChI=1/C19H23NO5/c1-10(21)18-17(12-6-7-14(23-4)15(8-12)24-5)16-11(2)25-20-13(16)9-19(18,3)22/h6-8,17-18,22H,9H2,1-5H3/t17-,18-,19+/m1/s1

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Potential Energy
Epot(MMFF94)=139.802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.395 g/mol  logS: -2.67952  SlogP: 2.64439  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.285685  Sterimol/B1: 2.41336  Sterimol/B2: 2.5502  Sterimol/B3: 6.22667
  Sterimol/B4: 7.32097  Sterimol/L: 14.0687 
 
 Surface and Volume Properties
  Accessible surface: 543.475  Positive charged surface: 386.863  Negative charged surface: 156.611  Volume: 323
  Hydrophobic surface: 442.007  Hydrophilic surface: 101.468
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.