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DSC-ZINC02560543

 MMsINC code: MMs01221734
Type: Neutral
Formula: C3H9O2P
SMILES:   P(OC)(OC)C
InChI:   InChI=1/C3H9O2P/c1-4-6(3)5-2/h1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.0202 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 108.077 g/mol  logS: 0.23914  SlogP: 1.2209  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0707151  Sterimol/B1: 2.19624  Sterimol/B2: 2.53948  Sterimol/B3: 2.84687
  Sterimol/B4: 3.94968  Sterimol/L: 9.50551 
 
 Surface and Volume Properties
  Accessible surface: 284.42  Positive charged surface: 245.183  Negative charged surface: 39.2369  Volume: 106.875
  Hydrophobic surface: 263.814  Hydrophilic surface: 20.606
 
 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.