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CHEMBRIDGE-ZINC02963820

 MMsINC code: MMs00743789
Type: Neutral
Formula: C8H10ClO3P
SMILES:   ClCP(Oc1ccccc1)(OC)=O
InChI:   InChI=1/C8H10ClO3P/c1-11-13(10,7-9)12-8-5-3-2-4-6-8/h2-6H,7H2,1H3/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=37.5944 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.592 g/mol  logS: -1.78424  SlogP: 2.031  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.083137  Sterimol/B1: 2.54849  Sterimol/B2: 2.81559  Sterimol/B3: 3.66341
  Sterimol/B4: 6.28777  Sterimol/L: 12.1171 
 
 Surface and Volume Properties
  Accessible surface: 396.549  Positive charged surface: 225.881  Negative charged surface: 170.669  Volume: 187.25
  Hydrophobic surface: 298.318  Hydrophilic surface: 98.231
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.