2-[(5S,7R)-3-[(1R)-1-acetamidoethyl]-1-adamantyl]acetate

Formula:C16H24NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(5S,7R)-3-[(1R)-1-acetamidoethyl]-1-adamantyl]acetate is a drug-like molecule.

MolName	2-[(5S,7R)-3-[(1R)-1-acetamidoethyl]-1-adamantyl]acetate
MolecularFormula	C16H24NO3
Smiles	C[C@H](C1(C[C@H](C2)C3)CC3(CC([O-])=O)C[C@H]2C1)NC(C)=O
InChI	InChI=1S/C16H25NO3/c1-10(17-11(2)18)16-6-12-3-13(7-16)5-15(4-12,9-16)8-14(19)20/h10,12-13H,3-9H2,1-2H3,(H,17,18)(H,19,20)/p-1/t10-,12-,13-,15?,16?/m1/s1
InChIK	FILJOBLEUYFETE-QCROPUPPSA-M
TotalMolweight	278.371
Molweight	278.371
MonoisotopicMass	278.175619
CLogP	-0.2491
CLogS	-3.206
H Acceptors	4
H Donors	1
TotalSurfaceArea	206.65
Relative PSA	0.25076
PolarSurfaceArea	69.23
Druglikeness	1.5881
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
StereoCenters	5
Rotatable Bond	4
Rings Closures	3
Small Rings	4
Sp3Atoms	15
Amides	1
AcidicOxygens	1
StereoCon	unknown chirality

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1 - 2-[(5S,7R)-3-[(1R)-1-acetamidoethyl]-1-adamantyl]acetate | 2 - 2-[(5S,7R)-3-[(1R)-1-acetamidoethyl]-1-adamantyl]acetate

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