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CHEMBRIDGE-ZINC00581798

 MMsINC code: MMs00632760
Type: Neutral
Formula: C16H25NO3
SMILES:   O(C)c1cc(cc(OC)c1)C(=O)NC(C(C)C)C(C)C
InChI:   InChI=1/C16H25NO3/c1-10(2)15(11(3)4)17-16(18)12-7-13(19-5)9-14(8-12)20-6/h7-11,15H,1-6H3,(H,17,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.2708 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.38 g/mol  logS: -3.09327  SlogP: 3.1142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106488  Sterimol/B1: 2.11257  Sterimol/B2: 3.63138  Sterimol/B3: 4.83416
  Sterimol/B4: 7.37309  Sterimol/L: 14.9037 
 
 Surface and Volume Properties
  Accessible surface: 541.359  Positive charged surface: 398.577  Negative charged surface: 142.782  Volume: 293.625
  Hydrophobic surface: 427.615  Hydrophilic surface: 113.744
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.