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NCID-ZINC01573676

 MMsINC code: MMs02233035
Type: Neutral
Formula: C13H19Cl2N2O3P
SMILES:   ClCCN(P(OCc1ccccc1)(=O)NC(=O)C)CCCl
InChI:   InChI=1/C13H19Cl2N2O3P/c1-12(18)16-21(19,17(9-7-14)10-8-15)20-11-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,16,18,19)/t21-/m1/s1

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Potential Energy
Epot(MMFF94)=-4.9117 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.186 g/mol  logS: -2.72  SlogP: 2.4232  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.158715  Sterimol/B1: 2.34872  Sterimol/B2: 3.9796  Sterimol/B3: 4.77223
  Sterimol/B4: 9.56373  Sterimol/L: 15.6767 
 
 Surface and Volume Properties
  Accessible surface: 592.768  Positive charged surface: 289.916  Negative charged surface: 302.851  Volume: 306
  Hydrophobic surface: 385.533  Hydrophilic surface: 207.235
 
 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.