Novobiocin sodium

Name: Novobiocin sodium
SKU: PI1476535
Rating: 5 (1 reviews)

Cat. No.: PI1476535

Product Details Other Identifiers Computed Properties

CAS	1476-53-5
Synonyms	Sodium 4-((7-(((2R,3R,4S,5R)-4-(carbamoyloxy)-3-hydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl)carbamoyl)-2-(3-methylbut-2-en-1-yl)phenolate
Purity	98%
Molecular Formula	C31H35N2NaO11
Molecular Weight	634.61
Molar Refractivity	158.12

MDL Number

MFCD00066541

Hydrogen Bond Donor Count	4.0
Hydrogen Bond Acceptor Count	11.0
Rotatable Bond Count	10
Topological Polar Surface Area	202.84 Å²
Heavy Atom Count	45
Aromatic Heavy Atoms Number	16
Fraction Csp3	0.39
Log Po/w (iLOGP)	-9.93
Log Po/w (XLOGP3)	3.32
Log Po/w (WLOGP)	3.87
Log Po/w (MLOGP)	0.91
Log Po/w (SILICOS-IT)	2.85
Consensus Log Po/w	0.21
GI Absorption	Low
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.81 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	2.0 alert
Leadlikeness	2.0
Synthetic Accessibility	6.06

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