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Casrn : 675839-33-5

MolName : AM 152

MolecularFormula : K.C15H19N6O6

Smiles : C[C@H]([C@H]([C@H]1OC(C(C)(C)CNC(Cn2nnnc2)=O)=C(C([O-])=O)N11)C1=O)O.[K+]

InChI : InChI=1S/C15H20N6O6.K/c1-7(22)9-12(24)21-10(14(25)26)11(27-13(9)21)15(2,3)5-16-8(23)4-20-6-17-18-19-20;/h6-7,9,13,22H,4-5H2,1-3H3,(H,16,23)(H,25,26);/q;+1/p-1/t7-,9-,13+;/m1./s1

InChIK : AFIOJKXUVZFDHY-CTWKQVAXSA-M

CanonicalSyTyLFy : 377f1d5daba26283

TotalMolweight : 418.45

Molweight : 379.352

MonoisotopicMass : 379.136609

CLogP : -3.9046

CLogS : -1.329

H Acceptors : 12

H Donors : 2

TotalSurfaceArea : 265.76

Relative PSA : 0.49402

PolarSurfaceArea : 162.6

Druglikeness : 2.3596

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.51852

Molecula Flexibility : 0.58205

Molecular Complexity : 0.92195

Fragments : 2

Non HAtoms : 27

NonCHAtoms : 12

Electronegative Atoms : 12

StereoCenters : 3

Rotatable Bond : 7

Rings Closures : 3

Small Rings : 4

Aromatic Rings : 1

Aromatic Atoms : 5

Sp3Atoms : 12

Symmetricatoms : 1

Amides : 2

Aromatic Nitrogens : 4

AcidicOxygens : 1

StereoCon : this enantiomer