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

Formula:C32H31N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-benzylpiperidin-1-yl)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-(4-benzylpiperidin-1-yl)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-en-1-one
MolecularFormula	C32H31N3O3
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c(cc1)cc2c1OCCO2)N1CCC(Cc2ccccc2)CC1
InChI	InChI=1S/C32H31N3O3/c36-31(34-17-15-25(16-18-34)21-24-7-3-1-4-8-24)14-12-27-23-35(28-9-5-2-6-10-28)33-32(27)26-11-13-29-30(22-26)38-20-19-37-29/h1-14,22-23,25H,15-21H2
InChIK	IFAGJJZDDFNSAD-UHFFFAOYSA-N
TotalMolweight	505.616
Molweight	505.616
MonoisotopicMass	505.236542
CLogP	5.4361
CLogS	-5.575
H Acceptors	6
TotalSurfaceArea	396.87
Relative PSA	0.13715
PolarSurfaceArea	56.59
Druglikeness	-2.6276
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52632
Fragments	1
Non HAtoms	38
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	10
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	2
StereoCon

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

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