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NCID-ZINC01607341

 MMsINC code: MMs02259147
Type: Ionized
Formula: C7H12Cl2N2O4P-
SMILES:   ClCCN(P1(OCC(N1)C(=O)[O-])=O)CCCl
InChI:   InChI=1/C7H13Cl2N2O4P/c8-1-3-11(4-2-9)16(14)10-6(5-15-16)7(12)13/h6H,1-5H2,(H,10,14)(H,12,13)/p-1/t6-,16-/m0/s1

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Potential Energy
Epot(MMFF94)=-14.505 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.063 g/mol  logS: -0.76267  SlogP: -1.4578  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.33837  Sterimol/B1: 4.24965  Sterimol/B2: 4.27842  Sterimol/B3: 4.53598
  Sterimol/B4: 5.71647  Sterimol/L: 11.2043 
 
 Surface and Volume Properties
  Accessible surface: 427.222  Positive charged surface: 183.227  Negative charged surface: 243.995  Volume: 222.5
  Hydrophobic surface: 162.225  Hydrophilic surface: 264.997
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 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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MMs02259146
NCID-ZINC01607341