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PUBCHEM-ZINC04599086

 MMsINC code: MMs03139761
Type: Neutral
Formula: C20H20Cl2N2O2
SMILES:   Clc1cc(NC(=O)C2CC(=O)N(C2)c2ccc(cc2)C(C)C)cc(Cl)c1
InChI:   InChI=1/C20H20Cl2N2O2/c1-12(2)13-3-5-18(6-4-13)24-11-14(7-19(24)25)20(26)23-17-9-15(21)8-16(22)10-17/h3-6,8-10,12,14H,7,11H2,1-2H3,(H,23,26)/t14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.0301 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.298 g/mol  logS: -6.23759  SlogP: 5.1084  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0572938  Sterimol/B1: 3.77491  Sterimol/B2: 3.96242  Sterimol/B3: 4.16813
  Sterimol/B4: 7.4763  Sterimol/L: 19.6385 
 
 Surface and Volume Properties
  Accessible surface: 650.992  Positive charged surface: 331.279  Negative charged surface: 319.713  Volume: 356
  Hydrophobic surface: 544.656  Hydrophilic surface: 106.336
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.