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ENAMINE-ZINC03336713

 MMsINC code: MMs01380310
Type: Neutral
Formula: C23H24ClNO2
SMILES:   Clc1ccc(cc1)C(N(Cc1cc(OC)c(OC)cc1)C)c1ccccc1
InChI:   InChI=1/C23H24ClNO2/c1-25(16-17-9-14-21(26-2)22(15-17)27-3)23(18-7-5-4-6-8-18)19-10-12-20(24)13-11-19/h4-15,23H,16H2,1-3H3/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=120.775 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.903 g/mol  logS: -5.62718  SlogP: 5.9405  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.164535  Sterimol/B1: 2.52039  Sterimol/B2: 3.45649  Sterimol/B3: 5.42324
  Sterimol/B4: 9.66191  Sterimol/L: 16.0455 
 
 Surface and Volume Properties
  Accessible surface: 651.15  Positive charged surface: 419.717  Negative charged surface: 231.433  Volume: 377.75
  Hydrophobic surface: 627.898  Hydrophilic surface: 23.252
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs01380311
ENAMINE-ZINC03336713