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NCID-ZINC01698549

 MMsINC code: MMs02328820
Type: Neutral
Formula: C10H14Cl2NO3P
SMILES:   ClCCN(P(Oc1ccccc1)(O)=O)CCCl
InChI:   InChI=1/C10H14Cl2NO3P/c11-6-8-13(9-7-12)17(14,15)16-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,15)

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Potential Energy
Epot(MMFF94)=1.72628 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.106 g/mol  logS: -2.27171  SlogP: 1.8752  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.091535  Sterimol/B1: 3.38175  Sterimol/B2: 3.65961  Sterimol/B3: 4.27401
  Sterimol/B4: 5.61656  Sterimol/L: 14.3919 
 
 Surface and Volume Properties
  Accessible surface: 497.568  Positive charged surface: 223.704  Negative charged surface: 273.864  Volume: 249.125
  Hydrophobic surface: 287.266  Hydrophilic surface: 210.302
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: no related molecules available.