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PUBCHEM-ZINC05553064

 MMsINC code: MMs03305219
Type: Neutral
Formula: C15H32NO4P
SMILES:   P(OCCCC)(OCCCC)(OCCN1CCCCC1)=O
InChI:   InChI=1/C15H32NO4P/c1-3-5-13-18-21(17,19-14-6-4-2)20-15-12-16-10-8-7-9-11-16/h3-15H2,1-2H3

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Potential Energy
Epot(MMFF94)=-0.725336 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.398 g/mol  logS: -2.60638  SlogP: 3.1602  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0816156  Sterimol/B1: 2.1438  Sterimol/B2: 3.0164  Sterimol/B3: 5.00301
  Sterimol/B4: 11.8958  Sterimol/L: 15.322 
 
 Surface and Volume Properties
  Accessible surface: 661.285  Positive charged surface: 522.181  Negative charged surface: 139.103  Volume: 333.5
  Hydrophobic surface: 566.133  Hydrophilic surface: 95.152
 
 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


MMs03305220
PUBCHEM-ZINC05553064