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PUBCHEM-ZINC03038382

 MMsINC code: MMs02984269
Type: Neutral
Formula: C20H28Cl2N2O2
SMILES:   Clc1ccc(cc1)C(N(C(=O)CCl)CCC)C(=O)NC1CCC(CC1)C
InChI:   InChI=1/C20H28Cl2N2O2/c1-3-12-24(18(25)13-21)19(15-6-8-16(22)9-7-15)20(26)23-17-10-4-14(2)5-11-17/h6-9,14,17,19H,3-5,10-13H2,1-2H3,(H,23,26)/t14-,17+,19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.8133 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.362 g/mol  logS: -5.6125  SlogP: 4.6489  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.192386  Sterimol/B1: 2.32961  Sterimol/B2: 3.5744  Sterimol/B3: 5.69233
  Sterimol/B4: 11.9162  Sterimol/L: 14.3131 
 
 Surface and Volume Properties
  Accessible surface: 649.266  Positive charged surface: 362.908  Negative charged surface: 286.358  Volume: 379.125
  Hydrophobic surface: 497.284  Hydrophilic surface: 151.982
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.