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IBS-ZINC06755663

 MMsINC code: MMs01967889
Type: Neutral
Formula: C15H18N4O4S
SMILES:   s1cccc1C(=O)NCCC(=O)NCC=1N(C)C(=O)N(C)C(=O)C=1
InChI:   InChI=1/C15H18N4O4S/c1-18-10(8-13(21)19(2)15(18)23)9-17-12(20)5-6-16-14(22)11-4-3-7-24-11/h3-4,7-8H,5-6,9H2,1-2H3,(H,16,22)(H,17,20)

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Potential Energy
Epot(MMFF94)=3.51948 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.399 g/mol  logS: -2.3015  SlogP: 0.3919  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0394116  Sterimol/B1: 2.28577  Sterimol/B2: 3.75059  Sterimol/B3: 4.72173
  Sterimol/B4: 5.77759  Sterimol/L: 20.0881 
 
 Surface and Volume Properties
  Accessible surface: 603.782  Positive charged surface: 368.838  Negative charged surface: 234.944  Volume: 311.125
  Hydrophobic surface: 432.371  Hydrophilic surface: 171.411
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.