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ENAMINE-ZINC05695656

 MMsINC code: MMs01634808
Type: Neutral
Formula: C14H15N5O3S
SMILES:   S(CC(=O)Nc1ccc(NC(=O)C)cc1)C=1NC(N)=CC(=O)N=1
InChI:   InChI=1/C14H15N5O3S/c1-8(20)16-9-2-4-10(5-3-9)17-13(22)7-23-14-18-11(15)6-12(21)19-14/h2-6H,7H2,1H3,(H,16,20)(H,17,22)(H3,15,18,19,21)

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Potential Energy
Epot(MMFF94)=42.1314 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.372 g/mol  logS: -3.96644  SlogP: 0.6026  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0160055  Sterimol/B1: 2.45156  Sterimol/B2: 3.12028  Sterimol/B3: 3.78155
  Sterimol/B4: 4.98292  Sterimol/L: 20.2857 
 
 Surface and Volume Properties
  Accessible surface: 579.183  Positive charged surface: 348.732  Negative charged surface: 230.452  Volume: 290.25
  Hydrophobic surface: 285.286  Hydrophilic surface: 293.897
 
 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.