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ACROSORGANICS-ZINC01671641

 MMsINC code: MMs00010520
Type: Ionized
Formula: C5H3N2O3S-
SMILES:   S=C1NC(=CC(=O)N1)C(=O)[O-]
InChI:   InChI=1/C5H4N2O3S/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)/p-1

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Potential Energy
Epot(MMFF94)=-10.427 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.156 g/mol  logS: -2.2031  SlogP: -2.3755  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.76331e-08  Sterimol/B1: 2.33261  Sterimol/B2: 2.33339  Sterimol/B3: 2.94124
  Sterimol/B4: 6.0567  Sterimol/L: 9.42732 
 
 Surface and Volume Properties
  Accessible surface: 306.358  Positive charged surface: 103.466  Negative charged surface: 202.892  Volume: 128.25
  Hydrophobic surface: 40.6862  Hydrophilic surface: 265.6718
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs00010519
ACROSORGANICS-ZINC01671641