Methacycline HCl

Name: Methacycline HCl
SKU: PI3963959
Rating: 5 (1 reviews)

Cat. No.: PI3963959

Product Details Other Identifiers Computed Properties

CAS	3963-95-9
Synonyms	(4S,4aR,5S,5aR,12aS)-4-(Dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride
Purity	98%
Molecular Formula	C22H23ClN2O8
Molecular Weight	478.88
Molar Refractivity	117.62

Pubchem ID	54685047
InChI Key	VXPSARQTYDZXAO-CCHMMTNSSA-N
MDL Number	MFCD04972012

Hydrogen Bond Donor Count	6.0
Hydrogen Bond Acceptor Count	9.0
Rotatable Bond Count	2
Topological Polar Surface Area	181.62 Å²
Heavy Atom Count	33
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.32
Log Po/w (iLOGP)	0.0
Log Po/w (XLOGP3)	0.56
Log Po/w (WLOGP)	0.36
Log Po/w (MLOGP)	-1.94
Log Po/w (SILICOS-IT)	-0.71
Consensus Log Po/w	-0.35
GI Absorption	Low
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-8.82 cm/s
Lipinski	1.0
Ghose	None
Veber	1.0
Egan	1.0
Muegge	2.0
Bioavailability Score	0.11
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	5.13

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