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ENAMINE-ZINC03350130

 MMsINC code: MMs01389064
Type: Neutral
Formula: C20H24Cl2N2O
SMILES:   Clc1cc(ccc1Cl)CN(CC(=O)Nc1c(cccc1CC)CC)C
InChI:   InChI=1/C20H24Cl2N2O/c1-4-15-7-6-8-16(5-2)20(15)23-19(25)13-24(3)12-14-9-10-17(21)18(22)11-14/h6-11H,4-5,12-13H2,1-3H3,(H,23,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=119.318 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.331 g/mol  logS: -6.07272  SlogP: 5.45504  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0820884  Sterimol/B1: 2.54078  Sterimol/B2: 2.74288  Sterimol/B3: 5.10085
  Sterimol/B4: 8.99702  Sterimol/L: 17.4283 
 
 Surface and Volume Properties
  Accessible surface: 650.829  Positive charged surface: 366.084  Negative charged surface: 284.745  Volume: 363.75
  Hydrophobic surface: 578.598  Hydrophilic surface: 72.231
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs01389065
ENAMINE-ZINC03350130