2-[4-[(4-phenylphthalazin-1-yl)amino]phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone

Formula:C32H29N5O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-[(4-phenylphthalazin-1-yl)amino]phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone is not a drug-like molecule.

MolName	2-[4-[(4-phenylphthalazin-1-yl)amino]phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone
MolecularFormula	C32H29N5O2
Smiles	O=C(COc(cc1)ccc1Nc1nnc(-c2ccccc2)c2ccccc12)N(CC1)CCN1c1ccccc1
InChI	InChI=1S/C32H29N5O2/c38-30(37-21-19-36(20-22-37)26-11-5-2-6-12-26)23-39-27-17-15-25(16-18-27)33-32-29-14-8-7-13-28(29)31(34-35-32)24-9-3-1-4-10-24/h1-18H,19-23H2,(H,33,35)
InChIK	IYTNVDWRUVJVHE-UHFFFAOYSA-N
TotalMolweight	515.615
Molweight	515.615
MonoisotopicMass	515.232125
CLogP	5.51
CLogS	-6.694
H Acceptors	7
H Donors	1
TotalSurfaceArea	399.77
Relative PSA	0.15894
PolarSurfaceArea	70.59
Druglikeness	6.7049
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	39
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	6
Symmetricatoms	8
Amides	1
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	2
StereoCon

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