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AURORAFEINCHEMIE-ZINC02391164

 MMsINC code: MMs00452834
Type: Neutral
Formula: C10H13Cl2O2P
SMILES:   ClCCOP(OCCCl)c1ccccc1
InChI:   InChI=1/C10H13Cl2O2P/c11-6-8-13-15(14-9-7-12)10-4-2-1-3-5-10/h1-5H,6-9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.2797 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.092 g/mol  logS: -3.11528  SlogP: 3.1346  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.136216  Sterimol/B1: 2.93031  Sterimol/B2: 3.52717  Sterimol/B3: 3.74636
  Sterimol/B4: 8.23479  Sterimol/L: 12.1812 
 
 Surface and Volume Properties
  Accessible surface: 482.242  Positive charged surface: 271.021  Negative charged surface: 211.221  Volume: 233.75
  Hydrophobic surface: 348.47  Hydrophilic surface: 133.772
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.