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CHEMSTAR-ZINC04523730

 MMsINC code: MMs01114450
Type: Neutral
Formula: C10H8Cl3NOS
SMILES:   ClC(Cl)(Cl)CC(O)c1sc2c(n1)cccc2
InChI:   InChI=1/C10H8Cl3NOS/c11-10(12,13)5-7(15)9-14-6-3-1-2-4-8(6)16-9/h1-4,7,15H,5H2/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=41.328 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.605 g/mol  logS: -4.28236  SlogP: 4.6054  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0600122  Sterimol/B1: 3.17708  Sterimol/B2: 3.42374  Sterimol/B3: 3.97748
  Sterimol/B4: 4.74442  Sterimol/L: 13.7731 
 
 Surface and Volume Properties
  Accessible surface: 456.655  Positive charged surface: 152.594  Negative charged surface: 304.06  Volume: 230.25
  Hydrophobic surface: 241.517  Hydrophilic surface: 215.138
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.