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NCID-ZINC01731323

 MMsINC code: MMs02354212
Type: Neutral
Formula: C11H26NO4P
SMILES:   P(OCCCN(CC)CC)(OCC)(OCC)=O
InChI:   InChI=1/C11H26NO4P/c1-5-12(6-2)10-9-11-16-17(13,14-7-3)15-8-4/h5-11H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-3.35259 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.306 g/mol  logS: -1.27444  SlogP: 1.8458  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0555261  Sterimol/B1: 3.22668  Sterimol/B2: 3.25315  Sterimol/B3: 4.31506
  Sterimol/B4: 6.83492  Sterimol/L: 15.7899 
 
 Surface and Volume Properties
  Accessible surface: 570.189  Positive charged surface: 419.941  Negative charged surface: 150.248  Volume: 273.75
  Hydrophobic surface: 420.44  Hydrophilic surface: 149.749
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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


MMs02354213
NCID-ZINC01731323