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PUBCHEM-ZINC01533309

 MMsINC code: MMs02813818
Type: Neutral
Formula: C10H22NO2P
SMILES:   P(O)(=O)(CC1CCCCC1)CCCN
InChI:   InChI=1/C10H22NO2P/c11-7-4-8-14(12,13)9-10-5-2-1-3-6-10/h10H,1-9,11H2,(H,12,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.40068 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.265 g/mol  logS: -1.07914  SlogP: 1.1157  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0647643  Sterimol/B1: 2.82141  Sterimol/B2: 3.43805  Sterimol/B3: 3.91431
  Sterimol/B4: 4.38072  Sterimol/L: 15.2139 
 
 Surface and Volume Properties
  Accessible surface: 456.212  Positive charged surface: 357.558  Negative charged surface: 98.6544  Volume: 223
  Hydrophobic surface: 328.56  Hydrophilic surface: 127.652
 
 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.