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PUBCHEM-ZINC05914101

 MMsINC code: MMs03442218
Type: Neutral
Formula: C10H22N4S2
SMILES:   S=C(NCCCCCCNC(=S)NC)NC
InChI:   InChI=1/C10H22N4S2/c1-11-9(15)13-7-5-3-4-6-8-14-10(16)12-2/h3-8H2,1-2H3,(H2,11,13,15)(H2,12,14,16)

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Potential Energy
Epot(MMFF94)=-1.97471 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.446 g/mol  logS: -2.85848  SlogP: 0.7346  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0127087  Sterimol/B1: 2.3752  Sterimol/B2: 2.3756  Sterimol/B3: 4.18965
  Sterimol/B4: 4.2688  Sterimol/L: 20.4477 
 
 Surface and Volume Properties
  Accessible surface: 555.579  Positive charged surface: 428.63  Negative charged surface: 126.948  Volume: 267.5
  Hydrophobic surface: 347.741  Hydrophilic surface: 207.838
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.