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PUBCHEM-ZINC03185565

 MMsINC code: MMs03006042
Type: Neutral
Formula: C16H23Cl3NO6P
SMILES:   ClC(Cl)(Cl)C(O)NC(OC(P(OC(C)C)(OC(C)C)=O)c1ccccc1)=O
InChI:   InChI=1/C16H23Cl3NO6P/c1-10(2)25-27(23,26-11(3)4)13(12-8-6-5-7-9-12)24-15(22)20-14(21)16(17,18)19/h5-11,13-14,21H,1-4H3,(H,20,22)/t13-,14-/m1/s1

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Potential Energy
Epot(MMFF94)=55.3527 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 462.694 g/mol  logS: -4.90419  SlogP: 4.5883  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133884  Sterimol/B1: 2.46525  Sterimol/B2: 3.15944  Sterimol/B3: 4.84034
  Sterimol/B4: 9.37947  Sterimol/L: 15.1845 
 
 Surface and Volume Properties
  Accessible surface: 654.05  Positive charged surface: 318.723  Negative charged surface: 335.327  Volume: 386.375
  Hydrophobic surface: 349.189  Hydrophilic surface: 304.861
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 0
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Ions/Tautomers related molecules: no related molecules available.