(E)-3-[4-[6-[(E)-3-imino-3-morpholin-4-ylprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-morpholin-4-ylprop-2-en-1-imine

Formula:C27H30N6O2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-[4-[6-[(E)-3-imino-3-morpholin-4-ylprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-morpholin-4-ylprop-2-en-1-imine is a drug-like molecule.

MolName	(E)-3-[4-[6-[(E)-3-imino-3-morpholin-4-ylprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-morpholin-4-ylprop-2-en-1-imine
MolecularFormula	C27H30N6O2
Smiles	N=C(/C=C/c(cc1)ccc1-c1cn(cc(/C=C/C(N2CCOCC2)=N)cc2)c2n1)N1CCOCC1
InChI	InChI=1S/C27H30N6O2/c28-25(31-11-15-34-16-12-31)8-3-21-1-6-23(7-2-21)24-20-33-19-22(5-10-27(33)30-24)4-9-26(29)32-13-17-35-18-14-32/h1-10,19-20,28-29H,11-18H2
InChIK	IMZJVKIUFRTFGS-UHFFFAOYSA-N
TotalMolweight	470.575
Molweight	470.575
MonoisotopicMass	470.243024
CLogP	1.5613
CLogS	-3.195
H Acceptors	8
H Donors	2
TotalSurfaceArea	374.33
Relative PSA	0.20629
PolarSurfaceArea	89.94
Druglikeness	2.4056
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.65714
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	10
Symmetricatoms	6
Aromatic Nitrogens	2
BasicNitrogens	3
StereoCon

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1 - (E)-3-[4-[6-[(E)-3-imino-3-morpholin-4-ylprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-morpholin-4-ylprop-2-en-1-imine | 2 - (E)-3-[4-[6-[(E)-3-imino-3-morpholin-4-ylprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-morpholin-4-ylprop-2-en-1-imine

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