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ASINEX-ZINC04476266

 MMsINC code: MMs00339887
Type: Neutral
Formula: C15H22N2O2
SMILES:   O1CCN(CC1)CCNC(=O)c1cc(cc(c1)C)C
InChI:   InChI=1/C15H22N2O2/c1-12-9-13(2)11-14(10-12)15(18)16-3-4-17-5-7-19-8-6-17/h9-11H,3-8H2,1-2H3,(H,16,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.5035 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.353 g/mol  logS: -2.66822  SlogP: 1.36544  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.027445  Sterimol/B1: 1.969  Sterimol/B2: 2.8974  Sterimol/B3: 3.37325
  Sterimol/B4: 7.00419  Sterimol/L: 16.5778 
 
 Surface and Volume Properties
  Accessible surface: 538.701  Positive charged surface: 400.078  Negative charged surface: 138.624  Volume: 273.125
  Hydrophobic surface: 481.007  Hydrophilic surface: 57.694
 
 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


MMs00339888
ASINEX-ZINC04476266