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NCID-ZINC05848340

 MMsINC code: MMs02507219
Type: Neutral
Formula: C10H18N2O2S2
SMILES:   S1SCCC1CCCCC(=O)NCC(=O)N
InChI:   InChI=1/C10H18N2O2S2/c11-9(13)7-12-10(14)4-2-1-3-8-5-6-15-16-8/h8H,1-7H2,(H2,11,13)(H,12,14)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=21.1579 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.398 g/mol  logS: -2.97519  SlogP: 1.302  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0222436  Sterimol/B1: 2.48419  Sterimol/B2: 2.60301  Sterimol/B3: 3.61332
  Sterimol/B4: 4.43122  Sterimol/L: 17.9882 
 
 Surface and Volume Properties
  Accessible surface: 509.324  Positive charged surface: 339.33  Negative charged surface: 169.994  Volume: 242.25
  Hydrophobic surface: 257.891  Hydrophilic surface: 251.433
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.