(E)-2-cyano-N-(oxolan-2-ylmethyl)-3-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]prop-2-enamide

Formula:C24H28N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-N-(oxolan-2-ylmethyl)-3-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-N-(oxolan-2-ylmethyl)-3-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]prop-2-enamide
MolecularFormula	C24H28N4O4
Smiles	N#C/C(/C(NCC1OCCC1)=O)=C\c1cn(CC(NCC2OCCC2)=O)c2c1cccc2
InChI	InChI=1S/C24H28N4O4/c25-12-17(24(30)27-14-20-6-4-10-32-20)11-18-15-28(22-8-2-1-7-21(18)22)16-23(29)26-13-19-5-3-9-31-19/h1-2,7-8,11,15,19-20H,3-6,9-10,13-14,16H2,(H,26,29)(H,27,30)
InChIK	LPBAKEBMQZEDNB-UHFFFAOYSA-N
TotalMolweight	436.51
Molweight	436.51
MonoisotopicMass	436.211056
CLogP	0.9848
CLogS	-3.293
H Acceptors	8
H Donors	2
TotalSurfaceArea	343.74
Relative PSA	0.26017
PolarSurfaceArea	105.38
Druglikeness	-1.0846
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	2
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	13
Amides	2
Aromatic Nitrogens	1
StereoCon	unknown chirality

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1 - (E)-2-cyano-N-(oxolan-2-ylmethyl)-3-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]prop-2-enamide | 2 - (E)-2-cyano-N-(oxolan-2-ylmethyl)-3-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]prop-2-enamide

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