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ENAMINE-ZINC06135177

 MMsINC code: MMs01658695
Type: Neutral
Formula: C15H20N4O3S
SMILES:   S(=O)(=O)(N(C)C)c1cc(ccc1)C(=O)NCCCn1ccnc1
InChI:   InChI=1/C15H20N4O3S/c1-18(2)23(21,22)14-6-3-5-13(11-14)15(20)17-7-4-9-19-10-8-16-12-19/h3,5-6,8,10-12H,4,7,9H2,1-2H3,(H,17,20)

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Potential Energy
Epot(MMFF94)=30.0548 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.416 g/mol  logS: -1.93891  SlogP: 1.2199  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0407063  Sterimol/B1: 2.04718  Sterimol/B2: 3.31949  Sterimol/B3: 4.39647
  Sterimol/B4: 6.94991  Sterimol/L: 19.0956 
 
 Surface and Volume Properties
  Accessible surface: 602.758  Positive charged surface: 426.199  Negative charged surface: 176.559  Volume: 311.125
  Hydrophobic surface: 466.393  Hydrophilic surface: 136.365
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.