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PUBCHEM-ZINC02014792

 MMsINC code: MMs02851247
Type: Neutral
Formula: C4H9BrClO2P
SMILES:   BrCP(OCC)(=O)CCl
InChI:   InChI=1/C4H9BrClO2P/c1-2-8-9(7,3-5)4-6/h2-4H2,1H3/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.1206 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.445 g/mol  logS: -0.95384  SlogP: 1.7795  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.156418  Sterimol/B1: 3.42647  Sterimol/B2: 3.64374  Sterimol/B3: 4.0309
  Sterimol/B4: 4.14063  Sterimol/L: 11.4289 
 
 Surface and Volume Properties
  Accessible surface: 367.011  Positive charged surface: 170.155  Negative charged surface: 196.857  Volume: 163.25
  Hydrophobic surface: 168.907  Hydrophilic surface: 198.104
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.