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NCID-ZINC04743133

 MMsINC code: MMs02399405
Type: Neutral
Formula: C26H28Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1C1N(CCCN1Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
InChI:   InChI=1/C26H28Cl2N2O2/c1-31-22-9-4-19(5-10-22)17-29-14-3-15-30(18-20-6-11-23(32-2)12-7-20)26(29)24-13-8-21(27)16-25(24)28/h4-13,16,26H,3,14-15,17-18H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=119.559 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 471.428 g/mol  logS: -6.4907  SlogP: 7.0456  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129802  Sterimol/B1: 2.54878  Sterimol/B2: 3.10885  Sterimol/B3: 6.01057
  Sterimol/B4: 10.2195  Sterimol/L: 19.4861 
 
 Surface and Volume Properties
  Accessible surface: 733.068  Positive charged surface: 446.389  Negative charged surface: 286.679  Volume: 445.875
  Hydrophobic surface: 705.536  Hydrophilic surface: 27.532
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.