ID: ALA5280380

Max Phase: Preclinical

Molecular Formula: C16H30BN3O6

Molecular Weight: 371.24

Representations

Canonical SMILES:  COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](B(O)O)C(C)C)C(C)C

Standard InChI:  InChI=1S/C16H30BN3O6/c1-9(2)12(18-16(23)26-5)15(22)20-8-6-7-11(20)14(21)19-13(10(3)4)17(24)25/h9-13,24-25H,6-8H2,1-5H3,(H,18,23)(H,19,21)/t11-,12-,13-/m0/s1

Standard InChI Key:  SKKWOJGSBZEZTL-AVGNSLFASA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 371.24

Molecular Weight (Monoisotopic): 371.2228

AlogP:

#Rotatable Bonds:

Polar Surface Area:

Molecular Species:

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

CX LogD:

Aromatic Rings:

Heavy Atoms:

QED Weighted:

Np Likeness Score:

References

1. Plescia J, Moitessier N..  (2020)  Design and discovery of boronic acid drugs.,  195  [PMID:32302879] [10.1016/j.ejmech.2020.112270]

Source

Source(1):

• Scientific Literature