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NCID-ZINC01680479

 MMsINC code: MMs02314702
Type: Neutral
Formula: C11H16Cl2N4O4
SMILES:   ClCCN(CCCl)C1=CN(CC(N)C(O)=O)C(=O)NC1=O
InChI:   InChI=1/C11H16Cl2N4O4/c12-1-3-16(4-2-13)8-6-17(5-7(14)10(19)20)11(21)15-9(8)18/h6-7H,1-5,14H2,(H,19,20)(H,15,18,21)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=60.4385 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.179 g/mol  logS: -1.48826  SlogP: -0.4289  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.184691  Sterimol/B1: 3.99119  Sterimol/B2: 4.4829  Sterimol/B3: 4.91887
  Sterimol/B4: 5.6967  Sterimol/L: 14.1242 
 
 Surface and Volume Properties
  Accessible surface: 532.406  Positive charged surface: 269.527  Negative charged surface: 262.879  Volume: 278.875
  Hydrophobic surface: 151.749  Hydrophilic surface: 380.657
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.