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ASINEX-ZINC03625624

 MMsINC code: MMs00289190
Type: Neutral
Formula: C7H16N2O2S
SMILES:   S(=O)(=O)(N1CCCCC1)CCN
InChI:   InChI=1/C7H16N2O2S/c8-4-7-12(10,11)9-5-2-1-3-6-9/h1-8H2

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Potential Energy
Epot(MMFF94)=-6.09392 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.283 g/mol  logS: 0.07991  SlogP: -0.2392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0992254  Sterimol/B1: 2.60769  Sterimol/B2: 3.60516  Sterimol/B3: 3.66318
  Sterimol/B4: 3.87432  Sterimol/L: 12.6793 
 
 Surface and Volume Properties
  Accessible surface: 382.685  Positive charged surface: 289.926  Negative charged surface: 92.7592  Volume: 179.125
  Hydrophobic surface: 263.422  Hydrophilic surface: 119.263
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.