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PUBCHEM-ZINC00481710

 MMsINC code: MMs02690369
Type: Neutral
Formula: C19H27NO2
SMILES:   O=C1CCCCCCCCCCC1C(=O)Nc1ccccc1
InChI:   InChI=1/C19H27NO2/c21-18-15-11-6-4-2-1-3-5-10-14-17(18)19(22)20-16-12-8-7-9-13-16/h7-9,12-13,17H,1-6,10-11,14-15H2,(H,20,22)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=134.162 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.43 g/mol  logS: -5.71564  SlogP: 4.725  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.391087  Sterimol/B1: 3.39223  Sterimol/B2: 3.83295  Sterimol/B3: 5.85593
  Sterimol/B4: 6.43291  Sterimol/L: 12.5253 
 
 Surface and Volume Properties
  Accessible surface: 529.758  Positive charged surface: 355.886  Negative charged surface: 173.872  Volume: 317.125
  Hydrophobic surface: 481.199  Hydrophilic surface: 48.559
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.