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NCID-ZINC01762320

 MMsINC code: MMs02368037
Type: Neutral
Formula: C14H21Cl2N2O4P
SMILES:   ClCCN(P(OCCC(OCc1ccccc1)=O)(=O)N)CCCl
InChI:   InChI=1/C14H21Cl2N2O4P/c15-7-9-18(10-8-16)23(17,20)22-11-6-14(19)21-12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H2,17,20)/t23-/m0/s1

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Potential Energy
Epot(MMFF94)=-11.1487 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.212 g/mol  logS: -2.80416  SlogP: 2.1791  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0451974  Sterimol/B1: 3.57103  Sterimol/B2: 4.12929  Sterimol/B3: 4.91329
  Sterimol/B4: 5.64335  Sterimol/L: 20.452 
 
 Surface and Volume Properties
  Accessible surface: 665.954  Positive charged surface: 353.453  Negative charged surface: 312.502  Volume: 333.625
  Hydrophobic surface: 396.286  Hydrophilic surface: 269.668
 
 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.