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NCID-ZINC01717214

 MMsINC code: MMs02342706
Type: Neutral
Formula: C13H20Cl2NO5P
SMILES:   ClCCN(P(Oc1ccccc1)(OCC(O)CO)=O)CCCl
InChI:   InChI=1/C13H20Cl2NO5P/c14-6-8-16(9-7-15)22(19,20-11-12(18)10-17)21-13-4-2-1-3-5-13/h1-5,12,17-18H,6-11H2/t12-,22-/m1/s1

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Potential Energy
Epot(MMFF94)=52.0952 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.185 g/mol  logS: -2.21181  SlogP: 1.2527  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.192743  Sterimol/B1: 3.44161  Sterimol/B2: 3.53352  Sterimol/B3: 6.86603
  Sterimol/B4: 7.51701  Sterimol/L: 15.7724 
 
 Surface and Volume Properties
  Accessible surface: 586.547  Positive charged surface: 307.904  Negative charged surface: 278.643  Volume: 315.25
  Hydrophobic surface: 325.943  Hydrophilic surface: 260.604
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.