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MAYBRIDGE-ZINC00143724

 MMsINC code: MMs02140131
Type: Neutral
Formula: C18H15NO4
SMILES:   OC1(NC(=O)c2cc(C)c(cc2)C)C(=O)c2c(cccc2)C1=O
InChI:   InChI=1/C18H15NO4/c1-10-7-8-12(9-11(10)2)17(22)19-18(23)15(20)13-5-3-4-6-14(13)16(18)21/h3-9,23H,1-2H3,(H,19,22)

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Potential Energy
Epot(MMFF94)=92.2123 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.321 g/mol  logS: -4.88527  SlogP: 1.80104  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0710904  Sterimol/B1: 4.09252  Sterimol/B2: 4.1318  Sterimol/B3: 4.53526
  Sterimol/B4: 5.0301  Sterimol/L: 14.8459 
 
 Surface and Volume Properties
  Accessible surface: 539.964  Positive charged surface: 273.995  Negative charged surface: 265.968  Volume: 287.125
  Hydrophobic surface: 400.233  Hydrophilic surface: 139.731
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.