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CHEMDIV-ZINC00241846

 MMsINC code: MMs00845385
Type: Neutral
Formula: C18H19NO3
SMILES:   OC(=O)c1ccccc1NC(=O)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C18H19NO3/c1-18(2,3)13-10-8-12(9-11-13)16(20)19-15-7-5-4-6-14(15)17(21)22/h4-11H,1-3H3,(H,19,20)(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.1236 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.354 g/mol  logS: -5.34385  SlogP: 3.9346  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0360582  Sterimol/B1: 2.13663  Sterimol/B2: 4.32616  Sterimol/B3: 4.8254
  Sterimol/B4: 5.30076  Sterimol/L: 16.4218 
 
 Surface and Volume Properties
  Accessible surface: 536.387  Positive charged surface: 319.362  Negative charged surface: 217.025  Volume: 294.125
  Hydrophobic surface: 373.367  Hydrophilic surface: 163.02
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs00845386
CHEMDIV-ZINC00241846