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PUBCHEM-ZINC05821547

 MMsINC code: MMs03400579
Type: Neutral
Formula: C10H14Cl2NO3P
SMILES:   Clc1ccc(Cl)cc1OP(OCCCC)(=O)N
InChI:   InChI=1/C10H14Cl2NO3P/c1-2-3-6-15-17(13,14)16-10-7-8(11)4-5-9(10)12/h4-5,7H,2-3,6H2,1H3,(H2,13,14)/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=-3.82297 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.106 g/mol  logS: -3.91216  SlogP: 3.1855  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0324396  Sterimol/B1: 2.53929  Sterimol/B2: 3.43128  Sterimol/B3: 4.68824
  Sterimol/B4: 4.69099  Sterimol/L: 16.22 
 
 Surface and Volume Properties
  Accessible surface: 514.794  Positive charged surface: 258.181  Negative charged surface: 256.613  Volume: 247.625
  Hydrophobic surface: 402.71  Hydrophilic surface: 112.084
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.