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

Formula:C26H32N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-N-cycloheptyl-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-cycloheptyl-3-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]prop-2-enamide
MolecularFormula	C26H32N4O3
Smiles	N#C/C(/C(NC1CCCCCC1)=O)=C\c1cn(CC(NCC2OCCC2)=O)c2c1cccc2
InChI	InChI=1S/C26H32N4O3/c27-15-19(26(32)29-21-8-3-1-2-4-9-21)14-20-17-30(24-12-6-5-11-23(20)24)18-25(31)28-16-22-10-7-13-33-22/h5-6,11-12,14,17,21-22H,1-4,7-10,13,16,18H2,(H,28,31)(H,29,32)/t22-/m1/s1
InChIK	UGUUZQBBYLZCCX-JOCHJYFZSA-N
TotalMolweight	448.565
Molweight	448.565
MonoisotopicMass	448.247441
CLogP	2.5827
CLogS	-4.452
H Acceptors	7
H Donors	2
TotalSurfaceArea	361.26
Relative PSA	0.21987
PolarSurfaceArea	96.15
Druglikeness	-4.4664
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	14
Symmetricatoms	3
Amides	2
Aromatic Nitrogens	1
StereoCon	racemate

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

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