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NCID-ZINC05924265

 MMsINC code: MMs02511804
Type: Neutral
Formula: C10H7N3O4S
SMILES:   s1c([N+](=O)[O-])cnc1NC(=O)c1ccccc1O
InChI:   InChI=1/C10H7N3O4S/c14-7-4-2-1-3-6(7)9(15)12-10-11-5-8(18-10)13(16)17/h1-5,14H,(H,11,12,15)

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Potential Energy
Epot(MMFF94)=59.8783 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.249 g/mol  logS: -3.56578  SlogP: 2.0092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00183624  Sterimol/B1: 2.22325  Sterimol/B2: 2.23005  Sterimol/B3: 2.51027
  Sterimol/B4: 5.71348  Sterimol/L: 15.4348 
 
 Surface and Volume Properties
  Accessible surface: 442.974  Positive charged surface: 205.104  Negative charged surface: 237.871  Volume: 209.75
  Hydrophobic surface: 259.802  Hydrophilic surface: 183.172
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.