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NCID-ZINC01607343

 MMsINC code: MMs02259150
Type: Neutral
Formula: C7H13Cl2N2O4P
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)/t6-,16+/m1/s1

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Potential Energy
Epot(MMFF94)=-4.02293 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.071 g/mol  logS: -0.50222  SlogP: -0.1231  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.111684  Sterimol/B1: 3.00793  Sterimol/B2: 3.32542  Sterimol/B3: 4.06805
  Sterimol/B4: 6.9796  Sterimol/L: 13.3488 
 
 Surface and Volume Properties
  Accessible surface: 466.215  Positive charged surface: 230.925  Negative charged surface: 235.29  Volume: 223.75
  Hydrophobic surface: 171.906  Hydrophilic surface: 294.309
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules


MMs02259151
NCID-ZINC01607343