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ENAMINE-ZINC01841273

 MMsINC code: MMs01245022
Type: Neutral
Formula: C10H5Cl2NO
SMILES:   Clc1nc2c(cccc2)c(c1)C(Cl)=O
InChI:   InChI=1/C10H5Cl2NO/c11-9-5-7(10(12)14)6-3-1-2-4-8(6)13-9/h1-5H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.0228 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.062 g/mol  logS: -4.14512  SlogP: 3.2672  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.000324165  Sterimol/B1: 2.11686  Sterimol/B2: 2.16424  Sterimol/B3: 3.54153
  Sterimol/B4: 6.33257  Sterimol/L: 11.0025 
 
 Surface and Volume Properties
  Accessible surface: 381.567  Positive charged surface: 116.265  Negative charged surface: 259.767  Volume: 184.375
  Hydrophobic surface: 249.674  Hydrophilic surface: 131.893
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.