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NCID-ZINC01613082

 MMsINC code: MMs02263268
Type: Neutral
Formula: C5H13OP
SMILES:   P(=O)(CC)(CC)C
InChI:   InChI=1/C5H13OP/c1-4-7(3,6)5-2/h4-5H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.50135 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 120.132 g/mol  logS: 0.24332  SlogP: 0.9489  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155756  Sterimol/B1: 3.16323  Sterimol/B2: 3.20665  Sterimol/B3: 3.29617
  Sterimol/B4: 3.9406  Sterimol/L: 10.2187 
 
 Surface and Volume Properties
  Accessible surface: 309.368  Positive charged surface: 208.338  Negative charged surface: 101.03  Volume: 132.125
  Hydrophobic surface: 221.648  Hydrophilic surface: 87.72
 
 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.