(E)-2-(1H-benzimidazol-2-yl)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enenitrile

Formula:C22H20N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enenitrile
MolecularFormula	C22H20N4O3
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c(cc1)ccc1OCC(N1CCOCC1)=O
InChI	InChI=1S/C22H20N4O3/c23-14-17(22-24-19-3-1-2-4-20(19)25-22)13-16-5-7-18(8-6-16)29-15-21(27)26-9-11-28-12-10-26/h1-8,13H,9-12,15H2,(H,24,25)
InChIK	WSWPOXHYTPAZEE-UHFFFAOYSA-N
TotalMolweight	388.426
Molweight	388.426
MonoisotopicMass	388.153541
CLogP	2.0709
CLogS	-2.614
H Acceptors	7
H Donors	1
TotalSurfaceArea	305.72
Relative PSA	0.24568
PolarSurfaceArea	91.24
Druglikeness	-0.6847
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	7
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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