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PUBCHEM-ZINC05411469

 MMsINC code: MMs03260487
Type: Neutral
Formula: C3H6ClO6P
SMILES:   ClCC(OP(O)(O)=O)C(O)=O
InChI:   InChI=1/C3H6ClO6P/c4-1-2(3(5)6)10-11(7,8)9/h2H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1

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Potential Energy
Epot(MMFF94)=-65.7765 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.502 g/mol  logS: 0.0633  SlogP: -1.2825  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.114538  Sterimol/B1: 2.66653  Sterimol/B2: 3.08085  Sterimol/B3: 3.4547
  Sterimol/B4: 4.97347  Sterimol/L: 9.86658 
 
 Surface and Volume Properties
  Accessible surface: 340.09  Positive charged surface: 155.316  Negative charged surface: 184.774  Volume: 138.375
  Hydrophobic surface: 52.4064  Hydrophilic surface: 287.6836
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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


MMs03260488
PUBCHEM-ZINC05411469