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MAYBRIDGE-ZINC04368156

 MMsINC code: MMs02171718
Type: Neutral
Formula: C15H25NO
SMILES:   OC(C(CN(C)C)(C)C)(C)c1cc(ccc1)C
InChI:   InChI=1/C15H25NO/c1-12-8-7-9-13(10-12)15(4,17)14(2,3)11-16(5)6/h7-10,17H,11H2,1-6H3/t15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.238 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.371 g/mol  logS: -2.46023  SlogP: 3.10182  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.280148  Sterimol/B1: 2.85142  Sterimol/B2: 3.79528  Sterimol/B3: 4.79158
  Sterimol/B4: 4.90868  Sterimol/L: 12.9323 
 
 Surface and Volume Properties
  Accessible surface: 464.69  Positive charged surface: 338.033  Negative charged surface: 126.656  Volume: 264
  Hydrophobic surface: 396.885  Hydrophilic surface: 67.805
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02171719
MAYBRIDGE-ZINC04368156