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OTAVA-ZINC05580358

 MMsINC code: MMs02603185
Type: Neutral
Formula: C24H23NO5
SMILES:   O1c2c(cc(C)c(c2)C)C(=O)C(OCc2c(noc2C)C)=C1c1ccc(OC)cc1
InChI:   InChI=1/C24H23NO5/c1-13-10-19-21(11-14(13)2)29-23(17-6-8-18(27-5)9-7-17)24(22(19)26)28-12-20-15(3)25-30-16(20)4/h6-11H,12H2,1-5H3

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Potential Energy
Epot(MMFF94)=126.425 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.45 g/mol  logS: -6.67415  SlogP: 5.34398  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0395949  Sterimol/B1: 2.70063  Sterimol/B2: 3.87601  Sterimol/B3: 6.66043
  Sterimol/B4: 7.19163  Sterimol/L: 16.1862 
 
 Surface and Volume Properties
  Accessible surface: 654.409  Positive charged surface: 411.63  Negative charged surface: 242.778  Volume: 385.75
  Hydrophobic surface: 586.455  Hydrophilic surface: 67.954
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.