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NCID-ZINC01727837

 MMsINC code: MMs02351359
Type: Neutral
Formula: C13H25NOS
SMILES:   S(C(C)(C)C)CCC(=O)NC1CCCCC1
InChI:   InChI=1/C13H25NOS/c1-13(2,3)16-10-9-12(15)14-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H,14,15)

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Potential Energy
Epot(MMFF94)=20.407 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.415 g/mol  logS: -3.08968  SlogP: 3.3571  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0500671  Sterimol/B1: 2.01522  Sterimol/B2: 3.39503  Sterimol/B3: 4.32165
  Sterimol/B4: 4.7672  Sterimol/L: 16.5621 
 
 Surface and Volume Properties
  Accessible surface: 515.876  Positive charged surface: 375.696  Negative charged surface: 140.18  Volume: 263.125
  Hydrophobic surface: 394.902  Hydrophilic surface: 120.974
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.