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NCID-ZINC04809359

 MMsINC code: MMs02409358
Type: Neutral
Formula: C6H12N2O2S2
SMILES:   SCCNC(=O)C(=O)NCCS
InChI:   InChI=1/C6H12N2O2S2/c9-5(7-1-3-11)6(10)8-2-4-12/h11-12H,1-4H2,(H,7,9)(H,8,10)

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Potential Energy
Epot(MMFF94)=35.7831 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.306 g/mol  logS: -1.9126  SlogP: -0.9216  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0187071  Sterimol/B1: 2.3749  Sterimol/B2: 2.37545  Sterimol/B3: 2.77295
  Sterimol/B4: 3.95634  Sterimol/L: 16.1305 
 
 Surface and Volume Properties
  Accessible surface: 429.203  Positive charged surface: 266.121  Negative charged surface: 163.082  Volume: 181.125
  Hydrophobic surface: 213.304  Hydrophilic surface: 215.899
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.