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NCID-ZINC01656168

 MMsINC code: MMs02294695
Type: Neutral
Formula: C13H19NO
SMILES:   O=C(C(NC(C)C)(C)C)c1ccccc1
InChI:   InChI=1/C13H19NO/c1-10(2)14-13(3,4)12(15)11-8-6-5-7-9-11/h5-10,14H,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.6271 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.301 g/mol  logS: -2.76557  SlogP: 2.6459  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.188043  Sterimol/B1: 2.24554  Sterimol/B2: 3.05355  Sterimol/B3: 5.1724
  Sterimol/B4: 5.78766  Sterimol/L: 12.0338 
 
 Surface and Volume Properties
  Accessible surface: 429.323  Positive charged surface: 258.359  Negative charged surface: 170.964  Volume: 226.125
  Hydrophobic surface: 326.243  Hydrophilic surface: 103.08
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02294696
NCID-ZINC01656168