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NCID-ZINC01613084

 MMsINC code: MMs02263270
Type: Neutral
Formula: C7H17OP
SMILES:   P(=O)(CCCCC)(C)C
InChI:   InChI=1/C7H17OP/c1-4-5-6-7-9(2,3)8/h4-7H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.585 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 148.186 g/mol  logS: -0.66168  SlogP: 1.7291  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0768986  Sterimol/B1: 2.68133  Sterimol/B2: 3.41278  Sterimol/B3: 3.91123
  Sterimol/B4: 3.94621  Sterimol/L: 12.654 
 
 Surface and Volume Properties
  Accessible surface: 380.208  Positive charged surface: 269.199  Negative charged surface: 111.008  Volume: 166
  Hydrophobic surface: 284.899  Hydrophilic surface: 95.309
 
 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.