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PUBCHEM-ZINC06360436

 MMsINC code: MMs03686142
Type: Neutral
Formula: C5H15N2O2P
SMILES:   [PH](O)(=O)C(N)CCCCN
InChI:   InChI=1/C5H15N2O2P/c6-4-2-1-3-5(7)10(8)9/h5,10H,1-4,6-7H2,(H,8,9)/t5-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.7751 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.161 g/mol  logS: 0.50827  SlogP: -1.203  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.073201  Sterimol/B1: 2.60377  Sterimol/B2: 3.05935  Sterimol/B3: 3.29236
  Sterimol/B4: 4.19883  Sterimol/L: 13.2276 
 
 Surface and Volume Properties
  Accessible surface: 376.497  Positive charged surface: 265.762  Negative charged surface: 110.735  Volume: 160.125
  Hydrophobic surface: 166.544  Hydrophilic surface: 209.953
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03686143
PUBCHEM-ZINC06360436