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ASINEX-ZINC05017942

 MMsINC code: MMs00436974
Type: Neutral
Formula: C15H20N2O2
SMILES:   O1CCN(CC1)Cc1ccc(cc1)C(=O)NC1CC1
InChI:   InChI=1/C15H20N2O2/c18-15(16-14-5-6-14)13-3-1-12(2-4-13)11-17-7-9-19-10-8-17/h1-4,14H,5-11H2,(H,16,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.009 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.337 g/mol  logS: -2.24632  SlogP: 1.6774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0565138  Sterimol/B1: 2.2477  Sterimol/B2: 3.01814  Sterimol/B3: 3.79787
  Sterimol/B4: 6.49666  Sterimol/L: 16.8162 
 
 Surface and Volume Properties
  Accessible surface: 516.761  Positive charged surface: 377.409  Negative charged surface: 139.351  Volume: 267.625
  Hydrophobic surface: 412.413  Hydrophilic surface: 104.348
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs00436975
ASINEX-ZINC05017942