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FDA-ZINC03831027

 MMsINC code: MMs01726924
Type: Neutral
Formula: C25H27ClN2
SMILES:   Clc1ccc(cc1)C(N1CCN(CC1)Cc1cc(ccc1)C)c1ccccc1
InChI:   InChI=1/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3/t25-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=118.398 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.958 g/mol  logS: -6.04707  SlogP: 5.91752  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0996693  Sterimol/B1: 3.21874  Sterimol/B2: 4.65393  Sterimol/B3: 4.83597
  Sterimol/B4: 7.08035  Sterimol/L: 17.5813 
 
 Surface and Volume Properties
  Accessible surface: 679.295  Positive charged surface: 403.209  Negative charged surface: 276.086  Volume: 401.625
  Hydrophobic surface: 672.688  Hydrophilic surface: 6.607
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs01726925
FDA-ZINC03831027