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PUBCHEM-ZINC01763349

 MMsINC code: MMs02820212
Type: Neutral
Formula: C10H9Cl3N2
SMILES:   Clc1cc2n(CCCl)c(nc2cc1)CCl
InChI:   InChI=1/C10H9Cl3N2/c11-3-4-15-9-5-7(13)1-2-8(9)14-10(15)6-12/h1-2,5H,3-4,6H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.1088 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.555 g/mol  logS: -3.76882  SlogP: 4.2001  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0791628  Sterimol/B1: 2.84522  Sterimol/B2: 3.28148  Sterimol/B3: 4.0952
  Sterimol/B4: 5.36688  Sterimol/L: 11.4013 
 
 Surface and Volume Properties
  Accessible surface: 435.317  Positive charged surface: 164.047  Negative charged surface: 271.27  Volume: 218.125
  Hydrophobic surface: 265.484  Hydrophilic surface: 169.833
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.