3-[[2-hydroxyethyl-[(1R)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one

Formula:C24H36N6O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[2-hydroxyethyl-[(1R)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one is a drug-like molecule.

MolName	3-[[2-hydroxyethyl-[(1R)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
MolecularFormula	C24H36N6O2
Smiles	CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(CCO)CC1=Cc(cc(C)c(C)c2)c2NC1=O
InChI	InChI=1S/C24H36N6O2/c1-8-24(6,7)30-22(26-27-28-30)21(15(2)3)29(9-10-31)14-19-13-18-11-16(4)17(5)12-20(18)25-23(19)32/h11-13,15,21,31H,8-10,14H2,1-7H3,(H,25,32)/t21-/m1/s1
InChIK	SBKMSPHNNKWITP-OAQYLSRUSA-N
TotalMolweight	440.59
Molweight	440.59
MonoisotopicMass	440.289974
CLogP	2.2285
CLogS	-3.75
H Acceptors	8
H Donors	2
TotalSurfaceArea	351.84
Relative PSA	0.23002
PolarSurfaceArea	96.17
Druglikeness	5.1426
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	16
Symmetricatoms	2
Amides	1
Amines	1
AlkylAmines	1
Aromatic Nitrogens	4
BasicNitrogens	1
StereoCon	this enantiomer

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1 - 3-[[2-hydroxyethyl-[(1R)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one | 2 - 3-[[2-hydroxyethyl-[(1R)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one

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