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PUBCHEM-ZINC05966623

 MMsINC code: MMs03466415
Type: Neutral
Formula: C4H10NO2P
SMILES:   P1(OCCN1C)OC
InChI:   InChI=1/C4H10NO2P/c1-5-3-4-7-8(5)6-2/h3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.2263 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 135.103 g/mol  logS: 0.31743  SlogP: 0.8217  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0977881  Sterimol/B1: 2.21518  Sterimol/B2: 2.48658  Sterimol/B3: 3.15024
  Sterimol/B4: 5.37505  Sterimol/L: 9.37974 
 
 Surface and Volume Properties
  Accessible surface: 306.859  Positive charged surface: 289.207  Negative charged surface: 17.6517  Volume: 125.875
  Hydrophobic surface: 263.741  Hydrophilic surface: 43.118
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.