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ENAMINE-ZINC06651835

 MMsINC code: MMs01692463
Type: Neutral
Formula: C11H10N4O5S
SMILES:   s1cc(nc1NC=C1C(=O)NC(=O)NC1=O)CC(OC)=O
InChI:   InChI=1/C11H10N4O5S/c1-20-7(16)2-5-4-21-11(13-5)12-3-6-8(17)14-10(19)15-9(6)18/h3-4H,2H2,1H3,(H,12,13)(H2,14,15,17,18,19)

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Potential Energy
Epot(MMFF94)=-1.58149 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.29 g/mol  logS: -2.46824  SlogP: -0.47963  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0217173  Sterimol/B1: 2.27536  Sterimol/B2: 2.5491  Sterimol/B3: 3.90699
  Sterimol/B4: 6.88372  Sterimol/L: 16.7221 
 
 Surface and Volume Properties
  Accessible surface: 511.395  Positive charged surface: 300.774  Negative charged surface: 210.621  Volume: 246.625
  Hydrophobic surface: 244.473  Hydrophilic surface: 266.922
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.