(E)-1-(1-adamantyl)-3-(1,3-diphenylpyrazol-4-yl)prop-2-en-1-one

Formula:C28H28N2O Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(1-adamantyl)-3-(1,3-diphenylpyrazol-4-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(1-adamantyl)-3-(1,3-diphenylpyrazol-4-yl)prop-2-en-1-one
MolecularFormula	C28H28N2O
Smiles	O=C(C1(CC(C2)C3)CC3CC2C1)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1
InChI	InChI=1S/C28H28N2O/c31-26(28-16-20-13-21(17-28)15-22(14-20)18-28)12-11-24-19-30(25-9-5-2-6-10-25)29-27(24)23-7-3-1-4-8-23/h1-12,19-22H,13-18H2
InChIK	AHLVDXKMGRWENF-UHFFFAOYSA-N
TotalMolweight	408.543
Molweight	408.543
MonoisotopicMass	408.220163
CLogP	4.9677
CLogS	-6.114
H Acceptors	3
TotalSurfaceArea	314.96
Relative PSA	0.098044
PolarSurfaceArea	34.89
Druglikeness	3.7525
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	5
Rings Closures	6
Small Rings	7
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	10
Symmetricatoms	10
Aromatic Nitrogens	2
StereoCon

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