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MAYBRIDGE-ZINC01048622

 MMsINC code: MMs02157569
Type: Neutral
Formula: C16H10Cl2N2O5
SMILES:   Clc1cccc(Cl)c1-c1noc(C)c1C(O\N=C(\O)/c1occc1)=O
InChI:   InChI=1/C16H10Cl2N2O5/c1-8-12(16(22)25-20-15(21)11-6-3-7-23-11)14(19-24-8)13-9(17)4-2-5-10(13)18/h2-7H,1H3,(H,20,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=120.288 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.171 g/mol  logS: -6.22058  SlogP: 4.62642  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.287063  Sterimol/B1: 2.37159  Sterimol/B2: 4.59591  Sterimol/B3: 4.82007
  Sterimol/B4: 9.7911  Sterimol/L: 11.9526 
 
 Surface and Volume Properties
  Accessible surface: 563.258  Positive charged surface: 229.304  Negative charged surface: 333.954  Volume: 306.375
  Hydrophobic surface: 454.217  Hydrophilic surface: 109.041
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.