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PUBCHEM-ZINC01999297

 MMsINC code: MMs02841774
Type: Neutral
Formula: C7H10ClNS
SMILES:   ClCCCc1scnc1C
InChI:   InChI=1/C7H10ClNS/c1-6-7(3-2-4-8)10-5-9-6/h5H,2-4H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.3767 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 175.683 g/mol  logS: -1.7229  SlogP: 2.62289  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.117637  Sterimol/B1: 1.969  Sterimol/B2: 3.0287  Sterimol/B3: 3.47223
  Sterimol/B4: 6.15545  Sterimol/L: 11.5375 
 
 Surface and Volume Properties
  Accessible surface: 362.129  Positive charged surface: 203.624  Negative charged surface: 158.505  Volume: 161.625
  Hydrophobic surface: 242.827  Hydrophilic surface: 119.302
 
 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.