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PUBCHEM-ZINC02013892

 MMsINC code: MMs02850783
Type: Neutral
Formula: C10H18Cl2N2O4
SMILES:   ClCCN(CCN(CC(O)=O)CC(O)=O)CCCl
InChI:   InChI=1/C10H18Cl2N2O4/c11-1-3-13(4-2-12)5-6-14(7-9(15)16)8-10(17)18/h1-8H2,(H,15,16)(H,17,18)

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Potential Energy
Epot(MMFF94)=77.5466 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.17 g/mol  logS: -0.90856  SlogP: 0.2372  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.253919  Sterimol/B1: 4.44618  Sterimol/B2: 4.88464  Sterimol/B3: 5.57086
  Sterimol/B4: 5.91554  Sterimol/L: 12.1108 
 
 Surface and Volume Properties
  Accessible surface: 528.569  Positive charged surface: 292.556  Negative charged surface: 236.012  Volume: 258.375
  Hydrophobic surface: 201.058  Hydrophilic surface: 327.511
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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


MMs02850784
PUBCHEM-ZINC02013892