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ACROSORGANICS-ZINC01668485

 MMsINC code: MMs00010468
Type: Neutral
Formula: C4H3ClN2O3
SMILES:   ClC1C(=O)NC(=O)NC1=O
InChI:   InChI=1/C4H3ClN2O3/c5-1-2(8)6-4(10)7-3(1)9/h1H,(H2,6,7,8,9,10)

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Potential Energy
Epot(MMFF94)=-20.1921 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.532 g/mol  logS: -1.29307  SlogP: -0.6203  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0968613  Sterimol/B1: 2.40745  Sterimol/B2: 3.42555  Sterimol/B3: 4.11515
  Sterimol/B4: 4.11605  Sterimol/L: 8.9213 
 
 Surface and Volume Properties
  Accessible surface: 280.386  Positive charged surface: 111.283  Negative charged surface: 169.103  Volume: 112.5
  Hydrophobic surface: 18.7662  Hydrophilic surface: 261.6198
 
 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.