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NCID-ZINC01584527

 MMsINC code: MMs02241173
Type: Neutral
Formula: C14H18N4O4S2
SMILES:   S(SCCC=1C(=O)NC(=O)NC=1C)CCC=1C(=O)NC(=O)NC=1C
InChI:   InChI=1/C14H18N4O4S2/c1-7-9(11(19)17-13(21)15-7)3-5-23-24-6-4-10-8(2)16-14(22)18-12(10)20/h3-6H2,1-2H3,(H2,15,17,19,21)(H2,16,18,20,22)

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Potential Energy
Epot(MMFF94)=-27.6891 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.454 g/mol  logS: -3.72658  SlogP: 1.3748  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.110791  Sterimol/B1: 2.26372  Sterimol/B2: 3.77699  Sterimol/B3: 4.89733
  Sterimol/B4: 6.35624  Sterimol/L: 16.7018 
 
 Surface and Volume Properties
  Accessible surface: 573.446  Positive charged surface: 309.827  Negative charged surface: 263.619  Volume: 312.375
  Hydrophobic surface: 219.646  Hydrophilic surface: 353.8
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.