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ACROSORGANICS-ZINC01694641

 MMsINC code: MMs00011257
Type: Neutral
Formula: C5H12ClO3P
SMILES:   ClCP(OCC)(OCC)=O
InChI:   InChI=1/C5H12ClO3P/c1-3-8-10(7,5-6)9-4-2/h3-5H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.9491 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.575 g/mol  logS: -0.73658  SlogP: 1.3786  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.164007  Sterimol/B1: 2.50025  Sterimol/B2: 3.62656  Sterimol/B3: 4.12209
  Sterimol/B4: 6.26353  Sterimol/L: 10.4866 
 
 Surface and Volume Properties
  Accessible surface: 382.924  Positive charged surface: 233.259  Negative charged surface: 149.665  Volume: 162
  Hydrophobic surface: 232.082  Hydrophilic surface: 150.842
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.