ID: ALA1628100

Max Phase: Preclinical

Molecular Formula: C29H40F3O5RuS

Molecular Weight: 658.77

Molecule Type: Small molecule

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 658.77

Molecular Weight (Monoisotopic): 659.1592

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. el Amouri H, Vessières A, Vichard D, Top S, Gruselle M, Jaouen G..  (1992)  Syntheses and affinities of novel organometallic-labeled estradiol derivatives: a structure-affinity relationship.,  35  (17): [PMID:1507201] [10.1021/jm00095a006]

2. el Amouri H, Vessières A, Vichard D, Top S, Gruselle M, Jaouen G..  (1992)  Syntheses and affinities of novel organometallic-labeled estradiol derivatives: a structure-affinity relationship.,  35  (17): [PMID:1507201] [10.1021/jm00095a006]

Source

Source(1):

• Scientific Literature