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NCID-ZINC01701734

 MMsINC code: MMs02331211
Type: Neutral
Formula: C11H15Cl2N3O4
SMILES:   ClCCN(CCCl)C1=CN(CCC(O)=O)C(=O)NC1=O
InChI:   InChI=1/C11H15Cl2N3O4/c12-2-5-15(6-3-13)8-7-16(4-1-9(17)18)11(20)14-10(8)19/h7H,1-6H2,(H,17,18)(H,14,19,20)

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Potential Energy
Epot(MMFF94)=27.597 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.164 g/mol  logS: -1.67882  SlogP: 0.6339  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.184461  Sterimol/B1: 3.9216  Sterimol/B2: 4.31493  Sterimol/B3: 4.78465
  Sterimol/B4: 5.87907  Sterimol/L: 14.019 
 
 Surface and Volume Properties
  Accessible surface: 532.643  Positive charged surface: 274.784  Negative charged surface: 257.859  Volume: 267.875
  Hydrophobic surface: 178.622  Hydrophilic surface: 354.021
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs02331212
NCID-ZINC01701734