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PUBCHEM-ZINC05965095

 MMsINC code: MMs03465404
Type: Neutral
Formula: C5H12NO2P
SMILES:   P1(OCCCO1)N(C)C
InChI:   InChI=1/C5H12NO2P/c1-6(2)9-7-4-3-5-8-9/h3-5H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.84083 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 149.13 g/mol  logS: 0.11566  SlogP: 1.2118  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.184972  Sterimol/B1: 2.79565  Sterimol/B2: 2.91908  Sterimol/B3: 3.43396
  Sterimol/B4: 3.96949  Sterimol/L: 10.0986 
 
 Surface and Volume Properties
  Accessible surface: 323.104  Positive charged surface: 298.453  Negative charged surface: 24.6511  Volume: 141
  Hydrophobic surface: 282.992  Hydrophilic surface: 40.112
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.