4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one

Formula:C22H24N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one is a drug-like molecule.

MolName	4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one
MolecularFormula	C22H24N4O3
Smiles	CN1N=C(CC(N(CC2)CCN2c(cccc2)c2OC)=O)c(cccc2)c2C1=O
InChI	InChI=1S/C22H24N4O3/c1-24-22(28)17-8-4-3-7-16(17)18(23-24)15-21(27)26-13-11-25(12-14-26)19-9-5-6-10-20(19)29-2/h3-10H,11-15H2,1-2H3
InChIK	QQNHHWRZABQKEK-UHFFFAOYSA-N
TotalMolweight	392.458
Molweight	392.458
MonoisotopicMass	392.184841
CLogP	2.3853
CLogS	-3.297
H Acceptors	7
TotalSurfaceArea	298.71
Relative PSA	0.19497
PolarSurfaceArea	65.45
Druglikeness	8.8971
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	2
Amides	1
Amines	1
Aromatic Amines	1
StereoCon

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