[4-[(10R)-7,7-dimethyl-9,11-dioxo-5,6,8,10-tetrahydroindeno[1,2-b]quinolin-10-yl]phenyl] propanoate

Formula:C27H25NO4 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(10R)-7,7-dimethyl-9,11-dioxo-5,6,8,10-tetrahydroindeno[1,2-b]quinolin-10-yl]phenyl] propanoate is not a drug-like molecule.

MolName	[4-[(10R)-7,7-dimethyl-9,11-dioxo-5,6,8,10-tetrahydroindeno[1,2-b]quinolin-10-yl]phenyl] propanoate
MolecularFormula	C27H25NO4
Smiles	CCC(Oc1ccc([C@@H]2C(C(CC(C)(C)C3)=O)=C3NC(c3c4cccc3)=C2C4=O)cc1)=O
InChI	InChI=1S/C27H25NO4/c1-4-21(30)32-16-11-9-15(10-12-16)22-23-19(13-27(2,3)14-20(23)29)28-25-17-7-5-6-8-18(17)26(31)24(22)25/h5-12,22,28H,4,13-14H2,1-3H3/t22-/m1/s1
InChIK	MFCVBKLQWCIXSY-JOCHJYFZSA-N
TotalMolweight	427.499
Molweight	427.499
MonoisotopicMass	427.178359
CLogP	5.3884
CLogS	-5.811
H Acceptors	5
H Donors	1
TotalSurfaceArea	314.04
Relative PSA	0.19291
PolarSurfaceArea	72.47
Druglikeness	1.7243
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.4375
Fragments	1
Non HAtoms	32
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	1
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	3
StereoCon	this enantiomer

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1 - [4-[(10R)-7,7-dimethyl-9,11-dioxo-5,6,8,10-tetrahydroindeno[1,2-b]quinolin-10-yl]phenyl] propanoate | 2 - [4-[(10R)-7,7-dimethyl-9,11-dioxo-5,6,8,10-tetrahydroindeno[1,2-b]quinolin-10-yl]phenyl] propanoate

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