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PUBCHEM-ZINC03786562

 MMsINC code: MMs03076163
Type: Neutral
Formula: C28H36Cl2N2O
SMILES:   Clc1ccc(cc1)-c1[nH]c2c(cc(Cl)cc2)c1CC(=O)N(CCCCCC)CCCCCC
InChI:   InChI=1/C28H36Cl2N2O/c1-3-5-7-9-17-32(18-10-8-6-4-2)27(33)20-25-24-19-23(30)15-16-26(24)31-28(25)21-11-13-22(29)14-12-21/h11-16,19,31H,3-10,17-18,20H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.5591 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 487.515 g/mol  logS: -9.78943  SlogP: 8.67337  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.189455  Sterimol/B1: 2.1264  Sterimol/B2: 4.93408  Sterimol/B3: 6.97586
  Sterimol/B4: 13.858  Sterimol/L: 17.7005 
 
 Surface and Volume Properties
  Accessible surface: 847.977  Positive charged surface: 502.573  Negative charged surface: 341.538  Volume: 491.75
  Hydrophobic surface: 765.738  Hydrophilic surface: 82.239
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.