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CHEMBRIDGE-ZINC04133842

 MMsINC code: MMs00762634
Type: Neutral
Formula: C18H25ClN2O
SMILES:   Clc1cc(ccc1)C(=O)N1CCN(CC1)C1CCCCCC1
InChI:   InChI=1/C18H25ClN2O/c19-16-7-5-6-15(14-16)18(22)21-12-10-20(11-13-21)17-8-3-1-2-4-9-17/h5-7,14,17H,1-4,8-13H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.4413 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.864 g/mol  logS: -4.1924  SlogP: 3.8206  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12947  Sterimol/B1: 2.29222  Sterimol/B2: 3.19419  Sterimol/B3: 5.71124
  Sterimol/B4: 6.33601  Sterimol/L: 15.4989 
 
 Surface and Volume Properties
  Accessible surface: 560.924  Positive charged surface: 364.203  Negative charged surface: 196.721  Volume: 314.25
  Hydrophobic surface: 525.565  Hydrophilic surface: 35.359
 
 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


MMs00762635
CHEMBRIDGE-ZINC04133842