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FDA-ZINC00601299

MMsINC code: MMs01725221

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-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=117.907 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: 0.101141  Sterimol/B1: 3.32905  Sterimol/B2: 4.63094  Sterimol/B3: 5.89533
  Sterimol/B4: 6.76252  Sterimol/L: 16.4481 
 
 Surface and Volume Properties
  Accessible surface: 678.64  Positive charged surface: 409.718  Negative charged surface: 268.922  Volume: 399.75
  Hydrophobic surface: 672.032  Hydrophilic surface: 6.6079999999999
 
 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


MMs01725222
FDA-ZINC00601299