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NCID-ZINC01689570

 MMsINC code: MMs02322041
Type: Neutral
Formula: C7H13NOS
SMILES:   S(C(=O)N1CCCCC1)C
InChI:   InChI=1/C7H13NOS/c1-10-7(9)8-5-3-2-4-6-8/h2-6H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.133914 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 159.253 g/mol  logS: -1.45911  SlogP: 1.9553  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100451  Sterimol/B1: 2.75539  Sterimol/B2: 3.35198  Sterimol/B3: 3.6833
  Sterimol/B4: 3.87413  Sterimol/L: 11.3092 
 
 Surface and Volume Properties
  Accessible surface: 348.596  Positive charged surface: 246.031  Negative charged surface: 102.565  Volume: 157
  Hydrophobic surface: 286.225  Hydrophilic surface: 62.371
 
 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.