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CHEMBRIDGE-ZINC00285540

 MMsINC code: MMs00601365
Type: Neutral
Formula: C17H12Cl2N2O2
SMILES:   Clc1ccc(N(C(=O)CCl)c2c3c([nH]c2C=O)cccc3)cc1
InChI:   InChI=1/C17H12Cl2N2O2/c18-9-16(23)21(12-7-5-11(19)6-8-12)17-13-3-1-2-4-14(13)20-15(17)10-22/h1-8,10,20H,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.132 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.201 g/mol  logS: -5.25334  SlogP: 4.5373  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.284389  Sterimol/B1: 2.84857  Sterimol/B2: 4.8646  Sterimol/B3: 5.26137
  Sterimol/B4: 7.1551  Sterimol/L: 13.7826 
 
 Surface and Volume Properties
  Accessible surface: 537.301  Positive charged surface: 214.974  Negative charged surface: 321.225  Volume: 300.25
  Hydrophobic surface: 361.159  Hydrophilic surface: 176.142
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.