[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-4-(4-chlorophenyl)-2-oxo-3-quinolin-2-ylbut-3-enoate

Formula:C29H21N2O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-4-(4-chlorophenyl)-2-oxo-3-quinolin-2-ylbut-3-enoate is a drug-like molecule.

MolName	[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-4-(4-chlorophenyl)-2-oxo-3-quinolin-2-ylbut-3-enoate
MolecularFormula	C29H21N2O4Cl
Smiles	O=C(COC(C(/C(/c1nc2ccccc2cc1)=C/c(cc1)ccc1Cl)=O)=O)N(CC1)c2c1cccc2
InChI	InChI=1S/C29H21ClN2O4/c30-22-12-9-19(10-13-22)17-23(25-14-11-20-5-1-3-7-24(20)31-25)28(34)29(35)36-18-27(33)32-16-15-21-6-2-4-8-26(21)32/h1-14,17H,15-16,18H2
InChIK	UGJWWTMWNWPUNC-UHFFFAOYSA-N
TotalMolweight	496.949
Molweight	496.949
MonoisotopicMass	496.118985
CLogP	4.7952
CLogS	-6.071
H Acceptors	6
TotalSurfaceArea	367.6
Relative PSA	0.17312
PolarSurfaceArea	76.57
Druglikeness	-3.466
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47222
Fragments	1
Non HAtoms	36
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	4
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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