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CHEMSTAR-ZINC04150416

 MMsINC code: MMs01108671
Type: Neutral
Formula: C19H20Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1OCCCC(=O)N\N=C\C(C)c1ccccc1
InChI:   InChI=1/C19H20Cl2N2O2/c1-14(15-6-3-2-4-7-15)13-22-23-19(24)8-5-11-25-18-10-9-16(20)12-17(18)21/h2-4,6-7,9-10,12-14H,5,8,11H2,1H3,(H,23,24)/b22-13+/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=87.5747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.287 g/mol  logS: -5.43048  SlogP: 5.0581  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0462362  Sterimol/B1: 2.28905  Sterimol/B2: 2.3276  Sterimol/B3: 5.883
  Sterimol/B4: 6.22414  Sterimol/L: 21.8073 
 
 Surface and Volume Properties
  Accessible surface: 694.301  Positive charged surface: 359.662  Negative charged surface: 334.639  Volume: 350
  Hydrophobic surface: 596.725  Hydrophilic surface: 97.576
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.