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PUBCHEM-ZINC01842736

 MMsINC code: MMs02822288
Type: Neutral
Formula: C7H18NO2P
SMILES:   [PH](O)(=O)C(NCCCC)(C)C
InChI:   InChI=1/C7H18NO2P/c1-4-5-6-8-7(2,3)11(9)10/h8,11H,4-6H2,1-3H3,(H,9,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.9302 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 179.2 g/mol  logS: -1.14449  SlogP: 0.509  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115951  Sterimol/B1: 3.1514  Sterimol/B2: 3.47284  Sterimol/B3: 3.71099
  Sterimol/B4: 3.71598  Sterimol/L: 13.4145 
 
 Surface and Volume Properties
  Accessible surface: 398.248  Positive charged surface: 257.746  Negative charged surface: 140.502  Volume: 182.375
  Hydrophobic surface: 244.24  Hydrophilic surface: 154.008
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.