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PUBCHEM-ZINC05876662

 MMsINC code: MMs03425797
Type: Neutral
Formula: C19H22Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1OC(C(=O)N\N=C/1\CC(CC=C\1C)C(C)=C)C
InChI:   InChI=1/C19H22Cl2N2O2/c1-11(2)14-6-5-12(3)17(9-14)22-23-19(24)13(4)25-18-8-7-15(20)10-16(18)21/h5,7-8,10,13-14H,1,6,9H2,2-4H3,(H,23,24)/b22-17-/t13-,14-/m1/s1

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Potential Energy
Epot(MMFF94)=134.405 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.303 g/mol  logS: -5.90057  SlogP: 5.1653  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.044246  Sterimol/B1: 2.54952  Sterimol/B2: 2.64412  Sterimol/B3: 4.28622
  Sterimol/B4: 7.30065  Sterimol/L: 20.1853 
 
 Surface and Volume Properties
  Accessible surface: 653.819  Positive charged surface: 315.566  Negative charged surface: 338.253  Volume: 356.375
  Hydrophobic surface: 528.189  Hydrophilic surface: 125.63
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.