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NCID-ZINC01563009

 MMsINC code: MMs02224843
Type: Neutral
Formula: C11H18N2O2S2
SMILES:   S(SCC)C1(N(C)C(=O)C2N(CCC2)C1=O)C
InChI:   InChI=1/C11H18N2O2S2/c1-4-16-17-11(2)10(15)13-7-5-6-8(13)9(14)12(11)3/h8H,4-7H2,1-3H3/t8-,11+/m0/s1

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Potential Energy
Epot(MMFF94)=84.3457 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.409 g/mol  logS: -3.23098  SlogP: 1.5669  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.250744  Sterimol/B1: 2.20637  Sterimol/B2: 4.82237  Sterimol/B3: 4.85254
  Sterimol/B4: 5.75828  Sterimol/L: 11.2056 
 
 Surface and Volume Properties
  Accessible surface: 450.722  Positive charged surface: 301.974  Negative charged surface: 148.749  Volume: 248.875
  Hydrophobic surface: 309.223  Hydrophilic surface: 141.499
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.