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ENAMINE-ZINC03158824

 MMsINC code: MMs01291603
Type: Neutral
Formula: C10H20N2O4S
SMILES:   S1(=O)(=O)CC(NCCCC)C(NCC(O)=O)C1
InChI:   InChI=1/C10H20N2O4S/c1-2-3-4-11-8-6-17(15,16)7-9(8)12-5-10(13)14/h8-9,11-12H,2-7H2,1H3,(H,13,14)/t8-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=32.6044 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.346 g/mol  logS: -0.42447  SlogP: -0.7841  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0709173  Sterimol/B1: 3.03132  Sterimol/B2: 3.27696  Sterimol/B3: 4.96875
  Sterimol/B4: 6.88692  Sterimol/L: 13.5158 
 
 Surface and Volume Properties
  Accessible surface: 501.077  Positive charged surface: 327.36  Negative charged surface: 173.717  Volume: 242.5
  Hydrophobic surface: 276.926  Hydrophilic surface: 224.151
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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.