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ASINEX-ZINC00035397

 MMsINC code: MMs00061311
Type: Neutral
Formula: C13H19NOS
SMILES:   s1cccc1C(=O)NC1CCCCCCC1
InChI:   InChI=1/C13H19NOS/c15-13(12-9-6-10-16-12)14-11-7-4-2-1-3-5-8-11/h6,9-11H,1-5,7-8H2,(H,14,15)

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Potential Energy
Epot(MMFF94)=76.3423 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.367 g/mol  logS: -3.83926  SlogP: 3.5908  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106723  Sterimol/B1: 2.99659  Sterimol/B2: 3.58082  Sterimol/B3: 4.06185
  Sterimol/B4: 4.6443  Sterimol/L: 13.6303 
 
 Surface and Volume Properties
  Accessible surface: 453.5  Positive charged surface: 268.388  Negative charged surface: 185.113  Volume: 236.375
  Hydrophobic surface: 417.712  Hydrophilic surface: 35.788
 
 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.