3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]-1-prop-2-ynylindol-2-one

Formula:C21H17NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]-1-prop-2-ynylindol-2-one is a drug-like molecule.

MolName	3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]-1-prop-2-ynylindol-2-one
MolecularFormula	C21H17NO3
Smiles	C#CCN(C(C1(CC(/C=C/c2ccccc2)=O)O)=O)c2c1cccc2
InChI	InChI=1S/C21H17NO3/c1-2-14-22-19-11-7-6-10-18(19)21(25,20(22)24)15-17(23)13-12-16-8-4-3-5-9-16/h1,3-13,25H,14-15H2/t21-/m0/s1
InChIK	NPVXMVYAWQSEKD-NRFANRHFSA-N
TotalMolweight	331.37
Molweight	331.37
MonoisotopicMass	331.120844
CLogP	2.4498
CLogS	-4.205
H Acceptors	4
H Donors	1
TotalSurfaceArea	259.91
Relative PSA	0.1644
PolarSurfaceArea	57.61
Druglikeness	5.3482
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	4
Electronegative Atoms	4
StereoCenters	1
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	1
StereoCon	racemate

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