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CHEMBRIDGE-ZINC03461187

 MMsINC code: MMs00753284
Type: Neutral
Formula: C19H23NO
SMILES:   O(CCCN1CCCC1)c1ccccc1-c1ccccc1
InChI:   InChI=1/C19H23NO/c1-2-9-17(10-3-1)18-11-4-5-12-19(18)21-16-8-15-20-13-6-7-14-20/h1-5,9-12H,6-8,13-16H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.3578 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.399 g/mol  logS: -4.51368  SlogP: 4.2183  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0508043  Sterimol/B1: 2.55964  Sterimol/B2: 3.18108  Sterimol/B3: 3.52585
  Sterimol/B4: 9.55142  Sterimol/L: 15.5014 
 
 Surface and Volume Properties
  Accessible surface: 581.657  Positive charged surface: 402.385  Negative charged surface: 174.486  Volume: 305.875
  Hydrophobic surface: 576.98  Hydrophilic surface: 4.677
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00753285
CHEMBRIDGE-ZINC03461187