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CHEMBRIDGE-ZINC02885139

 MMsINC code: MMs00735488
Type: Neutral
Formula: C19H23NO5
SMILES:   O1C2(CCC(C)(C2(C)C)C1=O)C(=O)N(C)c1ccccc1C(OC)=O
InChI:   InChI=1/C19H23NO5/c1-17(2)18(3)10-11-19(17,25-16(18)23)15(22)20(4)13-9-7-6-8-12(13)14(21)24-5/h6-9H,10-11H2,1-5H3/t18-,19+/m0/s1

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Potential Energy
Epot(MMFF94)=137.336 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.395 g/mol  logS: -3.53566  SlogP: 2.5579  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.405628  Sterimol/B1: 3.71166  Sterimol/B2: 5.17291  Sterimol/B3: 5.90949
  Sterimol/B4: 5.98767  Sterimol/L: 11.247 
 
 Surface and Volume Properties
  Accessible surface: 531.874  Positive charged surface: 372.161  Negative charged surface: 159.712  Volume: 329.625
  Hydrophobic surface: 425.72  Hydrophilic surface: 106.154
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.