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ASINEX-ZINC00240759

 MMsINC code: MMs00097130
Type: Neutral
Formula: C11H7Cl2NO2
SMILES:   Clc1cc(Cl)ccc1NC(=O)c1occc1
InChI:   InChI=1/C11H7Cl2NO2/c12-7-3-4-9(8(13)6-7)14-11(15)10-2-1-5-16-10/h1-6H,(H,14,15)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.9605 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.088 g/mol  logS: -4.57502  SlogP: 3.8387  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0137584  Sterimol/B1: 2.28479  Sterimol/B2: 2.66332  Sterimol/B3: 3.43588
  Sterimol/B4: 5.24635  Sterimol/L: 14.8475 
 
 Surface and Volume Properties
  Accessible surface: 439.158  Positive charged surface: 157.554  Negative charged surface: 281.604  Volume: 211.25
  Hydrophobic surface: 393.203  Hydrophilic surface: 45.955
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.