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PUBCHEM-ZINC04354356

 MMsINC code: MMs03116064
Type: Neutral
Formula: C23H20Cl2N2O3
SMILES:   Clc1cc(Cl)ccc1OC(C(=O)N\N=C\c1cc(OCc2ccccc2)ccc1)C
InChI:   InChI=1/C23H20Cl2N2O3/c1-16(30-22-11-10-19(24)13-21(22)25)23(28)27-26-14-18-8-5-9-20(12-18)29-15-17-6-3-2-4-7-17/h2-14,16H,15H2,1H3,(H,27,28)/b26-14+/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=129.995 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 443.33 g/mol  logS: -7.22904  SlogP: 5.7564  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0247463  Sterimol/B1: 2.29392  Sterimol/B2: 3.26661  Sterimol/B3: 5.60584
  Sterimol/B4: 6.25544  Sterimol/L: 24.8426 
 
 Surface and Volume Properties
  Accessible surface: 761.245  Positive charged surface: 374.581  Negative charged surface: 386.664  Volume: 403.625
  Hydrophobic surface: 654.682  Hydrophilic surface: 106.563
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.