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NCID-ZINC01604676

 MMsINC code: MMs02257092
Type: Neutral
Formula: C10H20N2O4S2
SMILES:   S(C(SCC(N)C(O)=O)C(C)C)CC(N)C(O)=O
InChI:   InChI=1/C10H20N2O4S2/c1-5(2)10(17-3-6(11)8(13)14)18-4-7(12)9(15)16/h5-7,10H,3-4,11-12H2,1-2H3,(H,13,14)(H,15,16)/t6-,7+,10-

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Potential Energy
Epot(MMFF94)=66.1597 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.412 g/mol  logS: -1.56018  SlogP: 0.2587  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124712  Sterimol/B1: 2.34235  Sterimol/B2: 2.96654  Sterimol/B3: 4.89439
  Sterimol/B4: 8.45353  Sterimol/L: 13.9727 
 
 Surface and Volume Properties
  Accessible surface: 535.076  Positive charged surface: 353.065  Negative charged surface: 182.011  Volume: 266.75
  Hydrophobic surface: 181.449  Hydrophilic surface: 353.627
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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.