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CHEMBRIDGE-ZINC02464512

 MMsINC code: MMs00709639
Type: Neutral
Formula: C8H16N2O2S
SMILES:   S(CCNC(=O)C)CCNC(=O)C
InChI:   InChI=1/C8H16N2O2S/c1-7(11)9-3-5-13-6-4-10-8(2)12/h3-6H2,1-2H3,(H,9,11)(H,10,12)

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Potential Energy
Epot(MMFF94)=15.107 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.294 g/mol  logS: -0.94228  SlogP: -0.0082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0168753  Sterimol/B1: 2.37525  Sterimol/B2: 2.37526  Sterimol/B3: 2.51599
  Sterimol/B4: 3.88357  Sterimol/L: 17.0914 
 
 Surface and Volume Properties
  Accessible surface: 460.983  Positive charged surface: 315.532  Negative charged surface: 145.452  Volume: 202.625
  Hydrophobic surface: 316.052  Hydrophilic surface: 144.931
 
 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.