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NCID-ZINC01732479

 MMsINC code: MMs02355214
Type: Neutral
Formula: C10H21NO3S
SMILES:   S(=O)(=O)(N1CC(OC(C1)C)C)CCCC
InChI:   InChI=1/C10H21NO3S/c1-4-5-6-15(12,13)11-7-9(2)14-10(3)8-11/h9-10H,4-8H2,1-3H3/t9-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=30.4765 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.348 g/mol  logS: -1.46468  SlogP: 1.2255  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0775316  Sterimol/B1: 3.4587  Sterimol/B2: 3.74897  Sterimol/B3: 4.2397
  Sterimol/B4: 4.53795  Sterimol/L: 14.3583 
 
 Surface and Volume Properties
  Accessible surface: 458.794  Positive charged surface: 327.705  Negative charged surface: 131.088  Volume: 227.5
  Hydrophobic surface: 334.719  Hydrophilic surface: 124.075
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.