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PUBCHEM-ZINC06760996

 MMsINC code: MMs03854275
Type: Neutral
Formula: C5H12NO3P
SMILES:   [PH](O)(=O)CN1CCOCC1
InChI:   InChI=1/C5H12NO3P/c7-10(8)5-6-1-3-9-4-2-6/h10H,1-5H2,(H,7,8)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=42.265 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 165.129 g/mol  logS: 0.48216  SlogP: -1.3271  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143818  Sterimol/B1: 2.42783  Sterimol/B2: 2.9038  Sterimol/B3: 3.84356
  Sterimol/B4: 5.1713  Sterimol/L: 10.7561 
 
 Surface and Volume Properties
  Accessible surface: 340.176  Positive charged surface: 245.411  Negative charged surface: 94.7651  Volume: 145.5
  Hydrophobic surface: 225.973  Hydrophilic surface: 114.203
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.