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PUBCHEM-ZINC04372801

 MMsINC code: MMs03117267
Type: Neutral
Formula: C18H24Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1OCC(=O)NN=C1CCC(CC1)C(C)(C)C
InChI:   InChI=1/C18H24Cl2N2O2/c1-18(2,3)12-4-7-14(8-5-12)21-22-17(23)11-24-16-9-6-13(19)10-15(16)20/h6,9-10,12H,4-5,7-8,11H2,1-3H3,(H,22,23)/b21-14-/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=114.186 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.308 g/mol  logS: -6.50677  SlogP: 5.0807  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0386029  Sterimol/B1: 2.04622  Sterimol/B2: 3.5667  Sterimol/B3: 5.17814
  Sterimol/B4: 5.4579  Sterimol/L: 20.3139 
 
 Surface and Volume Properties
  Accessible surface: 635.715  Positive charged surface: 338.99  Negative charged surface: 296.725  Volume: 345.375
  Hydrophobic surface: 513.946  Hydrophilic surface: 121.769
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1
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Ions/Tautomers related molecules: no related molecules available.