(E)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one

Formula:C30H27N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
MolecularFormula	C30H27N3O4
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c(cc1)cc2c1OCCO2)c(cc1)ccc1N1CCOCC1
InChI	InChI=1S/C30H27N3O4/c34-27(22-6-10-25(11-7-22)32-14-16-35-17-15-32)12-8-24-21-33(26-4-2-1-3-5-26)31-30(24)23-9-13-28-29(20-23)37-19-18-36-28/h1-13,20-21H,14-19H2
InChIK	DVQMODXATABBNH-UHFFFAOYSA-N
TotalMolweight	493.561
Molweight	493.561
MonoisotopicMass	493.200157
CLogP	3.8706
CLogS	-5.638
H Acceptors	7
TotalSurfaceArea	380.61
Relative PSA	0.16928
PolarSurfaceArea	65.82
Druglikeness	-2.8512
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51351
Fragments	1
Non HAtoms	37
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	9
Symmetricatoms	6
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	2
StereoCon

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1 - (E)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one | 2 - (E)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one

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