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CHEMBLOCK-ZINC01428455

 MMsINC code: MMs00522358
Type: Neutral
Formula: C10H10N2O4
SMILES:   O=C1N2C(CCC2=O)C(=O)N2C1CCC2=O
InChI:   InChI=1/C10H10N2O4/c13-7-3-1-5-9(15)12-6(2-4-8(12)14)10(16)11(5)7/h5-6H,1-4H2/t5-,6+

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Potential Energy
Epot(MMFF94)=65.4359 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.2 g/mol  logS: -1.11222  SlogP: -0.9648  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0696053  Sterimol/B1: 2.77936  Sterimol/B2: 3.16022  Sterimol/B3: 3.32291
  Sterimol/B4: 5.46427  Sterimol/L: 11.1302 
 
 Surface and Volume Properties
  Accessible surface: 381.833  Positive charged surface: 227.508  Negative charged surface: 154.325  Volume: 185.75
  Hydrophobic surface: 220.619  Hydrophilic surface: 161.214
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.