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IBS-ZINC04828778

 MMsINC code: MMs01899350
Type: Neutral
Formula: C15H28N3O6P
SMILES:   P(OC(C)C)(OC(C)C)(=O)\C(=N\OC(=O)NC1CCCCC1)\C(=O)N
InChI:   InChI=1/C15H28N3O6P/c1-10(2)23-25(21,24-11(3)4)14(13(16)19)18-22-15(20)17-12-8-6-5-7-9-12/h10-12H,5-9H2,1-4H3,(H2,16,19)(H,17,20)/b18-14-

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Potential Energy
Epot(MMFF94)=59.7387 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.378 g/mol  logS: -3.42178  SlogP: 1.817  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0999846  Sterimol/B1: 2.29211  Sterimol/B2: 3.96231  Sterimol/B3: 6.47468
  Sterimol/B4: 8.11534  Sterimol/L: 17.038 
 
 Surface and Volume Properties
  Accessible surface: 641.542  Positive charged surface: 444.158  Negative charged surface: 197.384  Volume: 347.375
  Hydrophobic surface: 390.534  Hydrophilic surface: 251.008
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.