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ENAMINE-ZINC03338948

 MMsINC code: MMs01381778
Type: Neutral
Formula: C15H18N4O3S
SMILES:   s1c2CCCCc2c2c1N=C(NC2=O)CCC(=O)NNC(=O)C
InChI:   InChI=1/C15H18N4O3S/c1-8(20)18-19-12(21)7-6-11-16-14(22)13-9-4-2-3-5-10(9)23-15(13)17-11/h2-7H2,1H3,(H,18,20)(H,19,21)(H,16,17,22)

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Potential Energy
Epot(MMFF94)=37.411 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.4 g/mol  logS: -3.47353  SlogP: 1.34774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0117437  Sterimol/B1: 2.94973  Sterimol/B2: 2.95481  Sterimol/B3: 3.64186
  Sterimol/B4: 5.39127  Sterimol/L: 19.3982 
 
 Surface and Volume Properties
  Accessible surface: 569.43  Positive charged surface: 377.834  Negative charged surface: 191.597  Volume: 296.875
  Hydrophobic surface: 387.28  Hydrophilic surface: 182.15
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.