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ACROSORGANICS-ZINC02141062

 MMsINC code: MMs00012921
Type: Neutral
Formula: C9H20N2O4S
SMILES:   S(O)(=O)(=O)CCCN1CCN(CC1)CCO
InChI:   InChI=1/C9H20N2O4S/c12-8-7-11-5-3-10(4-6-11)2-1-9-16(13,14)15/h12H,1-9H2,(H,13,14,15)

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Potential Energy
Epot(MMFF94)=44.7418 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.335 g/mol  logS: 0.44506  SlogP: -1.6915  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0615969  Sterimol/B1: 2.45491  Sterimol/B2: 2.90914  Sterimol/B3: 3.85178
  Sterimol/B4: 5.88243  Sterimol/L: 15.4624 
 
 Surface and Volume Properties
  Accessible surface: 472.205  Positive charged surface: 353.329  Negative charged surface: 118.876  Volume: 227.25
  Hydrophobic surface: 294.614  Hydrophilic surface: 177.591
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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.