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MAYBRIDGE-ZINC01042713

 MMsINC code: MMs02154772
Type: Neutral
Formula: C18H10Cl2N2O4
SMILES:   Clc1cccc(Cl)c1-c1noc(C)c1C(Oc1noc2c1cccc2)=O
InChI:   InChI=1/C18H10Cl2N2O4/c1-9-14(16(21-25-9)15-11(19)6-4-7-12(15)20)18(23)24-17-10-5-2-3-8-13(10)26-22-17/h2-8H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.7972 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.194 g/mol  logS: -7.12673  SlogP: 5.31722  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168106  Sterimol/B1: 2.29309  Sterimol/B2: 4.63297  Sterimol/B3: 4.79309
  Sterimol/B4: 10.2053  Sterimol/L: 13.6985 
 
 Surface and Volume Properties
  Accessible surface: 588.275  Positive charged surface: 233.678  Negative charged surface: 349.389  Volume: 318.25
  Hydrophobic surface: 528.06  Hydrophilic surface: 60.215
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.