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PHARMEK-ZINC01785424

 MMsINC code: MMs02621982
Type: Neutral
Formula: C15H36N3O3P
SMILES:   P(OC(CN(C)C)C)(OC(CN(C)C)C)OC(CN(C)C)C
InChI:   InChI=1/C15H36N3O3P/c1-13(10-16(4)5)19-22(20-14(2)11-17(6)7)21-15(3)12-18(8)9/h13-15H,10-12H2,1-9H3/t13-,14-,15+/m1/s1

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Potential Energy
Epot(MMFF94)=73.2822 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.445 g/mol  logS: -0.69072  SlogP: 2.1134  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.205154  Sterimol/B1: 2.50089  Sterimol/B2: 4.13278  Sterimol/B3: 5.96434
  Sterimol/B4: 8.23013  Sterimol/L: 14.1574 
 
 Surface and Volume Properties
  Accessible surface: 603.533  Positive charged surface: 534.345  Negative charged surface: 69.1876  Volume: 366.125
  Hydrophobic surface: 532.947  Hydrophilic surface: 70.586
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs02621983
PHARMEK-ZINC01785424