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NCID-ZINC01530872

 MMsINC code: MMs02218815
Type: Neutral
Formula: C7H15Cl2N2O4P
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)/t16-/m1/s1

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Potential Energy
Epot(MMFF94)=-37.3684 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.087 g/mol  logS: -0.62393  SlogP: 0.2539  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0862325  Sterimol/B1: 2.94063  Sterimol/B2: 3.84709  Sterimol/B3: 4.49178
  Sterimol/B4: 5.06483  Sterimol/L: 15.4836 
 
 Surface and Volume Properties
  Accessible surface: 494.155  Positive charged surface: 248.376  Negative charged surface: 245.779  Volume: 234.25
  Hydrophobic surface: 168.919  Hydrophilic surface: 325.236
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs02218816
NCID-ZINC01530872