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IBS-ZINC01900324

 MMsINC code: MMs01780210
Type: Neutral
Formula: C6H14NO3P
SMILES:   P(OCC)(OCC)(=O)N1CC1
InChI:   InChI=1/C6H14NO3P/c1-3-9-11(8,10-4-2)7-5-6-7/h3-6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.8674 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 179.156 g/mol  logS: -0.18751  SlogP: 0.4129  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.080112  Sterimol/B1: 2.57438  Sterimol/B2: 2.93696  Sterimol/B3: 3.72256
  Sterimol/B4: 6.24766  Sterimol/L: 12.2249 
 
 Surface and Volume Properties
  Accessible surface: 384.561  Positive charged surface: 255.811  Negative charged surface: 128.75  Volume: 168
  Hydrophobic surface: 287.137  Hydrophilic surface: 97.424
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.