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CHEMBRIDGE-ZINC04840946

 MMsINC code: MMs00798083
Type: Neutral
Formula: C18H24N2O3
SMILES:   O1CCN(CC1)C(=O)c1cc(NC(=O)C2CCCCC2)ccc1
InChI:   InChI=1/C18H24N2O3/c21-17(14-5-2-1-3-6-14)19-16-8-4-7-15(13-16)18(22)20-9-11-23-12-10-20/h4,7-8,13-14H,1-3,5-6,9-12H2,(H,19,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.97 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.401 g/mol  logS: -3.77311  SlogP: 2.6778  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0539283  Sterimol/B1: 2.4598  Sterimol/B2: 3.1381  Sterimol/B3: 3.61007
  Sterimol/B4: 8.01876  Sterimol/L: 16.0344 
 
 Surface and Volume Properties
  Accessible surface: 572.501  Positive charged surface: 432.041  Negative charged surface: 140.46  Volume: 312.125
  Hydrophobic surface: 491.048  Hydrophilic surface: 81.453
 
 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: no related molecules available.