2-[4-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]phenoxy]acetamide

Formula:C25H20N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]phenoxy]acetamide is a drug-like molecule.

MolName	2-[4-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]phenoxy]acetamide
MolecularFormula	C25H20N4O3
Smiles	C#CCOc(cc1)ccc1-c(c1ccccc11)nnc1Nc(cc1)ccc1OCC(N)=O
InChI	InChI=1S/C25H20N4O3/c1-2-15-31-19-11-7-17(8-12-19)24-21-5-3-4-6-22(21)25(29-28-24)27-18-9-13-20(14-10-18)32-16-23(26)30/h1,3-14H,15-16H2,(H2,26,30)(H,27,29)
InChIK	WLHAHNVBWGWLHI-UHFFFAOYSA-N
TotalMolweight	424.459
Molweight	424.459
MonoisotopicMass	424.153541
CLogP	3.2756
CLogS	-6.368
H Acceptors	7
H Donors	2
TotalSurfaceArea	333.96
Relative PSA	0.24467
PolarSurfaceArea	99.36
Druglikeness	0.060427
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65625
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	4
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon

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