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PUBCHEM-ZINC01530871

 MMsINC code: MMs02813395
Type: Ionized
Formula: C7H14Cl2N2O4P-
SMILES:   ClCCN(P(OCCC(=O)[O-])(=O)N)CCCl
InChI:   InChI=1/C7H15Cl2N2O4P/c8-2-4-11(5-3-9)16(10,14)15-6-1-7(12)13/h1-6H2,(H2,10,14)(H,12,13)/p-1/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=-50.1012 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.079 g/mol  logS: -0.88438  SlogP: -1.0808  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0923777  Sterimol/B1: 2.99561  Sterimol/B2: 3.62788  Sterimol/B3: 4.47211
  Sterimol/B4: 5.56701  Sterimol/L: 15.0495 
 
 Surface and Volume Properties
  Accessible surface: 485.674  Positive charged surface: 230.077  Negative charged surface: 255.597  Volume: 232.125
  Hydrophobic surface: 164.547  Hydrophilic surface: 321.127
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs02813394
PUBCHEM-ZINC01530871