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CHEMBRIDGE-ZINC02846114

 MMsINC code: MMs00725917
Type: Neutral
Formula: C17H26N2O2
SMILES:   O(CCCCN1CCN(CC1)C)c1ccccc1C(=O)C
InChI:   InChI=1/C17H26N2O2/c1-15(20)16-7-3-4-8-17(16)21-14-6-5-9-19-12-10-18(2)11-13-19/h3-4,7-8H,5-6,9-14H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.8194 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.407 g/mol  logS: -2.09569  SlogP: 2.2956  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0223595  Sterimol/B1: 2.5061  Sterimol/B2: 2.82343  Sterimol/B3: 3.50665
  Sterimol/B4: 7.30775  Sterimol/L: 18.5343 
 
 Surface and Volume Properties
  Accessible surface: 591.056  Positive charged surface: 466.879  Negative charged surface: 124.177  Volume: 308.125
  Hydrophobic surface: 549.457  Hydrophilic surface: 41.599
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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


MMs00725918
CHEMBRIDGE-ZINC02846114