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DSC-ZINC02562367

 MMsINC code: MMs01221740
Type: Neutral
Formula: C6H16NO2P
SMILES:   P(OC)(OC)N(CC)CC
InChI:   InChI=1/C6H16NO2P/c1-5-7(6-2)10(8-3)9-4/h5-6H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.6026 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 165.173 g/mol  logS: -0.18815  SlogP: 1.8479  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.153241  Sterimol/B1: 2.40089  Sterimol/B2: 2.55718  Sterimol/B3: 3.9933
  Sterimol/B4: 7.39862  Sterimol/L: 10.6453 
 
 Surface and Volume Properties
  Accessible surface: 368.216  Positive charged surface: 317.167  Negative charged surface: 51.0487  Volume: 170.75
  Hydrophobic surface: 300.609  Hydrophilic surface: 67.607
 
 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.