[2-(1-adamantylamino)-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate

Formula:C22H24N2O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(1-adamantylamino)-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-(1-adamantylamino)-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
MolecularFormula	C22H24N2O3S
Smiles	O=C(COC(/C=C/c1nc(cccc2)c2s1)=O)NC1(CC(C2)C3)CC3CC2C1
InChI	InChI=1S/C22H24N2O3S/c25-19(24-22-10-14-7-15(11-22)9-16(8-14)12-22)13-27-21(26)6-5-20-23-17-3-1-2-4-18(17)28-20/h1-6,14-16H,7-13H2,(H,24,25)
InChIK	XTXOYZOKBROORA-UHFFFAOYSA-N
TotalMolweight	396.51
Molweight	396.51
MonoisotopicMass	396.150763
CLogP	3.0679
CLogS	-4.493
H Acceptors	5
H Donors	1
TotalSurfaceArea	289.75
Relative PSA	0.2722
PolarSurfaceArea	96.53
Druglikeness	2.3768
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	5
Small Rings	6
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	12
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	1
StereoCon

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