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CHEMBRIDGE-ZINC04950928

 MMsINC code: MMs00813707
Type: Neutral
Formula: C10H19NO3S
SMILES:   S(O)(=O)C(CC(=O)NC1CCCCC1)C
InChI:   InChI=1/C10H19NO3S/c1-8(15(13)14)7-10(12)11-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,11,12)(H,13,14)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=13.2284 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.332 g/mol  logS: -1.61341  SlogP: 0.8699  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0595977  Sterimol/B1: 2.82925  Sterimol/B2: 3.11863  Sterimol/B3: 3.14364
  Sterimol/B4: 5.1982  Sterimol/L: 13.7455 
 
 Surface and Volume Properties
  Accessible surface: 453.419  Positive charged surface: 333.178  Negative charged surface: 120.242  Volume: 220.5
  Hydrophobic surface: 306.522  Hydrophilic surface: 146.897
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00813708
CHEMBRIDGE-ZINC04950928