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NCID-ZINC01663997

 MMsINC code: MMs02300308
Type: Ionized
Formula: C5H2ClN2O4-
SMILES:   ClC=1C(=O)NC(=O)NC=1C(=O)[O-]
InChI:   InChI=1/C5H3ClN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)/p-1

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Potential Energy
Epot(MMFF94)=-4.85304 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 189.534 g/mol  logS: -1.79897  SlogP: -1.865  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.38932e-08  Sterimol/B1: 2.097  Sterimol/B2: 2.09783  Sterimol/B3: 3.61032
  Sterimol/B4: 5.28581  Sterimol/L: 9.16247 
 
 Surface and Volume Properties
  Accessible surface: 305.379  Positive charged surface: 108.196  Negative charged surface: 197.183  Volume: 130.625
  Hydrophobic surface: 72.8377  Hydrophilic surface: 232.5413
 
 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:


MMs02300307
NCID-ZINC01663997