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LOPAC-ZINC01722374

 MMsINC code: MMs02125550
Type: Neutral
Formula: C3H7O4P
SMILES:   P(O)(O)(=O)C1OC1C
InChI:   InChI=1/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3-/m1/s1

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Potential Energy
Epot(MMFF94)=-26.0198 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.059 g/mol  logS: 0.57956  SlogP: -1.1613  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.152546  Sterimol/B1: 2.74112  Sterimol/B2: 3.12982  Sterimol/B3: 3.50308
  Sterimol/B4: 3.54107  Sterimol/L: 9.74738 
 
 Surface and Volume Properties
  Accessible surface: 291.251  Positive charged surface: 152.012  Negative charged surface: 139.238  Volume: 109.375
  Hydrophobic surface: 130.141  Hydrophilic surface: 161.11
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.