(E)-N-cyclopentyl-3-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]prop-2-enamide

Formula:C26H23N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-N-cyclopentyl-3-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]prop-2-enamide is a drug-like molecule.

MolName	(E)-N-cyclopentyl-3-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]prop-2-enamide
MolecularFormula	C26H23N3O3
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1C1=Cc(cccc2)c2OC1=O)NC1CCCC1
InChI	InChI=1S/C26H23N3O3/c30-24(27-20-9-5-6-10-20)15-14-19-17-29(21-11-2-1-3-12-21)28-25(19)22-16-18-8-4-7-13-23(18)32-26(22)31/h1-4,7-8,11-17,20H,5-6,9-10H2,(H,27,30)
InChIK	NPDWOUKCHJBEMO-UHFFFAOYSA-N
TotalMolweight	425.487
Molweight	425.487
MonoisotopicMass	425.173942
CLogP	2.9571
CLogS	-4.765
H Acceptors	6
H Donors	1
TotalSurfaceArea	329.45
Relative PSA	0.19845
PolarSurfaceArea	73.22
Druglikeness	0.86355
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon

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