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NANOSIN-ZINC01507199

 MMsINC code: MMs02195361
Type: Neutral
Formula: C7H5N3O3
SMILES:   O=C1NC=Nc2c1[nH]cc2C(O)=O
InChI:   InChI=1/C7H5N3O3/c11-6-5-4(9-2-10-6)3(1-8-5)7(12)13/h1-2,8H,(H,12,13)(H,9,10,11)

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Potential Energy
Epot(MMFF94)=0.0480657 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 179.135 g/mol  logS: -0.65327  SlogP: 0.1161  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.43874e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09908  Sterimol/B3: 2.71463
  Sterimol/B4: 5.43717  Sterimol/L: 10.8509 
 
 Surface and Volume Properties
  Accessible surface: 334.763  Positive charged surface: 203.018  Negative charged surface: 131.745  Volume: 145.375
  Hydrophobic surface: 58.4317  Hydrophilic surface: 276.3313
 
 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


MMs02195362
NANOSIN-ZINC01507199