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ACROSORGANICS-ZINC01583445

 MMsINC code: MMs00009511
Type: Neutral
Formula: C8H18N2O6S2
SMILES:   S(O)(=O)(=O)CCN1CCN(CC1)CCS(O)(=O)=O
InChI:   InChI=1/C8H18N2O6S2/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16/h1-8H2,(H,11,12,13)(H,14,15,16)

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Potential Energy
Epot(MMFF94)=21.9989 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.372 g/mol  logS: 0.42374  SlogP: -2.7518  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0460812  Sterimol/B1: 2.3674  Sterimol/B2: 3.04832  Sterimol/B3: 3.60685
  Sterimol/B4: 5.28406  Sterimol/L: 16.3635 
 
 Surface and Volume Properties
  Accessible surface: 492.343  Positive charged surface: 299.702  Negative charged surface: 192.64  Volume: 239.75
  Hydrophobic surface: 241.165  Hydrophilic surface: 251.178
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  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


MMs00009512
ACROSORGANICS-ZINC01583445