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NCID-ZINC05081008

 MMsINC code: MMs02437465
Type: Neutral
Formula: C20H29Cl6NO
SMILES:   ClC12C(Cl)(Cl)C(Cl)(CC1CCCCCCCCC(=O)N(CCC)C)C(Cl)=C2Cl
InChI:   InChI=1/C20H29Cl6NO/c1-3-12-27(2)15(28)11-9-7-5-4-6-8-10-14-13-18(23)16(21)17(22)19(14,24)20(18,25)26/h14H,3-13H2,1-2H3/t14-,18+,19-/m0/s1

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Potential Energy
Epot(MMFF94)=87.4468 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 512.176 g/mol  logS: -8.908  SlogP: 9.3049  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0276013  Sterimol/B1: 3.70282  Sterimol/B2: 3.99947  Sterimol/B3: 5.5162
  Sterimol/B4: 5.66017  Sterimol/L: 23.6907 
 
 Surface and Volume Properties
  Accessible surface: 773.343  Positive charged surface: 398.904  Negative charged surface: 374.439  Volume: 442.875
  Hydrophobic surface: 531.791  Hydrophilic surface: 241.552
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.