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IBS-ZINC04843973

 MMsINC code: MMs01900856
Type: Neutral
Formula: C15H25NO
SMILES:   Oc1c(cc(cc1C(C)(C)C)CN)C(C)(C)C
InChI:   InChI=1/C15H25NO/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,17H,9,16H2,1-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.5332 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.371 g/mol  logS: -4.10011  SlogP: 3.7123  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.174903  Sterimol/B1: 3.47885  Sterimol/B2: 3.76029  Sterimol/B3: 4.41499
  Sterimol/B4: 6.13373  Sterimol/L: 12.1889 
 
 Surface and Volume Properties
  Accessible surface: 483.322  Positive charged surface: 346.568  Negative charged surface: 136.754  Volume: 262.875
  Hydrophobic surface: 295.733  Hydrophilic surface: 187.589
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs01900857
IBS-ZINC04843973