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NCID-ZINC01613078

 MMsINC code: MMs02263264
Type: Neutral
Formula: C4H11OP
SMILES:   P(=O)(CC)(C)C
InChI:   InChI=1/C4H11OP/c1-4-6(2,3)5/h4H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.70709 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 106.105 g/mol  logS: 0.57053  SlogP: 0.5588  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.209637  Sterimol/B1: 3.03858  Sterimol/B2: 3.29655  Sterimol/B3: 3.60067
  Sterimol/B4: 3.87017  Sterimol/L: 8.9267 
 
 Surface and Volume Properties
  Accessible surface: 286.751  Positive charged surface: 188.677  Negative charged surface: 98.0735  Volume: 114
  Hydrophobic surface: 194.547  Hydrophilic surface: 92.204
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.