2-(4-methoxyphenyl)-3-[4-(2,3,5-trimethylphenoxy)butyl]quinazolin-4-one

Formula:C28H30N2O3 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-(4-methoxyphenyl)-3-[4-(2,3,5-trimethylphenoxy)butyl]quinazolin-4-one is not a drug-like molecule.

MolName	2-(4-methoxyphenyl)-3-[4-(2,3,5-trimethylphenoxy)butyl]quinazolin-4-one
MolecularFormula	C28H30N2O3
Smiles	Cc1cc(OCCCCN(C(c(cc2)ccc2OC)=Nc2c3cccc2)C3=O)c(C)c(C)c1
InChI	InChI=1S/C28H30N2O3/c1-19-17-20(2)21(3)26(18-19)33-16-8-7-15-30-27(22-11-13-23(32-4)14-12-22)29-25-10-6-5-9-24(25)28(30)31/h5-6,9-14,17-18H,7-8,15-16H2,1-4H3
InChIK	WJAQZOWXNAMMKC-UHFFFAOYSA-N
TotalMolweight	442.557
Molweight	442.557
MonoisotopicMass	442.225643
CLogP	5.7559
CLogS	-5.683
H Acceptors	5
TotalSurfaceArea	354.38
Relative PSA	0.13573
PolarSurfaceArea	51.13
Druglikeness	-0.72954
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	10
Symmetricatoms	2
Amides	1
StereoCon

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