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APOLLO-ZINC00164406

 MMsINC code: MMs00047548
Type: Neutral
Formula: C5H10ClNS
SMILES:   ClC(=S)N(CC)CC
InChI:   InChI=1/C5H10ClNS/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.9889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 151.661 g/mol  logS: -2.60468  SlogP: 1.8519  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.215633  Sterimol/B1: 2.17926  Sterimol/B2: 2.7223  Sterimol/B3: 3.32877
  Sterimol/B4: 5.52957  Sterimol/L: 9.00793 
 
 Surface and Volume Properties
  Accessible surface: 319.747  Positive charged surface: 159.994  Negative charged surface: 159.753  Volume: 145.125
  Hydrophobic surface: 155.463  Hydrophilic surface: 164.284
 
 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.