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CHEMBRIDGE-ZINC02904946

 MMsINC code: MMs00740110
Type: Neutral
Formula: C11H26NO3P
SMILES:   P(OCC)(OCC)(=O)CCCN(CC)CC
InChI:   InChI=1/C11H26NO3P/c1-5-12(6-2)10-9-11-16(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)=13.2946 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.307 g/mol  logS: -1.01988  SlogP: 1.9142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0487392  Sterimol/B1: 2.59423  Sterimol/B2: 3.06794  Sterimol/B3: 3.64902
  Sterimol/B4: 7.48247  Sterimol/L: 14.8644 
 
 Surface and Volume Properties
  Accessible surface: 546.079  Positive charged surface: 412.279  Negative charged surface: 133.8  Volume: 263.5
  Hydrophobic surface: 417.478  Hydrophilic surface: 128.601
 
 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


MMs00740111
CHEMBRIDGE-ZINC02904946