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NCID-ZINC01697672

 MMsINC code: MMs02328181
Type: Neutral
Formula: C5H10Cl2NO4P
SMILES:   ClC(Cl)=NOP(OCC)(OCC)=O
InChI:   InChI=1/C5H10Cl2NO4P/c1-3-10-13(9,11-4-2)12-8-5(6)7/h3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.6466 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.018 g/mol  logS: -2.5791  SlogP: 1.8625  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11637  Sterimol/B1: 3.20738  Sterimol/B2: 4.2059  Sterimol/B3: 4.32153
  Sterimol/B4: 5.93201  Sterimol/L: 13.2626 
 
 Surface and Volume Properties
  Accessible surface: 450.016  Positive charged surface: 200.303  Negative charged surface: 249.713  Volume: 191.875
  Hydrophobic surface: 186.802  Hydrophilic surface: 263.214
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.