Doripenem Monohydrate

Doripenem Monohydrate

Cat. No.: PI364622822

Product Details Other Identifiers Computed Properties
CAS 364622-82-2
Synonyms (4R,5S,6S)-6-((R)-1-Hydroxyethyl)-4-methyl-7-oxo-3-(((3S,5S)-5-((sulfamoylamino)methyl)pyrrolidin-3-yl)thio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate
Purity 98%
Molecular Formula C15H26N4O7S2
Molecular Weight 438.52
Molar Refractivity 109.18
Pubchem ID 636377
InChI Key NTUBEBXBDGKBTJ-WGLOMNHJSA-N
MDL Number MFCD09749887
Hydrogen Bond Donor Count 6.0
Hydrogen Bond Acceptor Count 10.0
Rotatable Bond Count 7
Topological Polar Surface Area 204.97 Ų
Heavy Atom Count 28
Aromatic Heavy Atoms Number 0
Fraction Csp3 0.73
Log Po/w (iLOGP) 0.88
Log Po/w (XLOGP3) -3.9
Log Po/w (WLOGP) -1.35
Log Po/w (MLOGP) -0.89
Log Po/w (SILICOS-IT) -2.44
Consensus Log Po/w -1.54
GI Absorption Low
BBB Permeant No
P-gp Substrate No
CYP1A2Inhibitor No
CYP2C19Inhibitor No
CYP2C9Inhibitor No
CYP2D6Inhibitor No
CYP3A4Inhibitor No
Log Kp (Skin Permeation) -11.74 cm/s
Lipinski 2.0
Ghose None
Veber 1.0
Egan 1.0
Muegge 3.0
Bioavailability Score 0.17
PAINS 0.0 alert
Brenk 0.0 alert
Leadlikeness 1.0
Synthetic Accessibility 5.55

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