[2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate

Formula:C26H19N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate
MolecularFormula	C26H19N3O3S
Smiles	O=C(COC(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)=O)c1c[nH]c2c1cccc2
InChI	InChI=1S/C26H19N3O3S/c30-23(21-15-27-22-10-5-4-9-20(21)22)17-32-25(31)13-12-18-16-29(19-7-2-1-3-8-19)28-26(18)24-11-6-14-33-24/h1-16,27H,17H2
InChIK	SATADPGVJPSCPH-UHFFFAOYSA-N
TotalMolweight	453.521
Molweight	453.521
MonoisotopicMass	453.114712
CLogP	3.8436
CLogS	-5.702
H Acceptors	6
H Donors	1
TotalSurfaceArea	346.37
Relative PSA	0.25484
PolarSurfaceArea	105.22
Druglikeness	3.9842
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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