[2-(1-adamantylcarbamoylamino)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Formula:C23H26N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:high [2-(1-adamantylcarbamoylamino)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-(1-adamantylcarbamoylamino)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
MolecularFormula	C23H26N2O6
Smiles	O=C(COC(/C=C/c(cc1)cc2c1OCO2)=O)NC(NC1(CC(C2)C3)CC3CC2C1)=O
InChI	InChI=1S/C23H26N2O6/c26-20(12-29-21(27)4-2-14-1-3-18-19(8-14)31-13-30-18)24-22(28)25-23-9-15-5-16(10-23)7-17(6-15)11-23/h1-4,8,15-17H,5-7,9-13H2,(H2,24,25,26,28)
InChIK	KDEJULSJVLSORJ-UHFFFAOYSA-N
TotalMolweight	426.467
Molweight	426.467
MonoisotopicMass	426.179088
CLogP	2.9578
CLogS	-5.401
H Acceptors	8
H Donors	2
TotalSurfaceArea	309.92
Relative PSA	0.29698
PolarSurfaceArea	102.96
Druglikeness	1.5575
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	5
Small Rings	6
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	15
Symmetricatoms	6
Amides	2
StereoCon

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