(E)-1-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]-3-(furan-2-yl)prop-2-en-1-one

Formula:C25H25N3O2 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-1-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]-3-(furan-2-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]-3-(furan-2-yl)prop-2-en-1-one
MolecularFormula	C25H25N3O2
Smiles	O=C(/C=C/c1ccco1)c(cc1)ccc1-n1nncc1C1(CC(C2)C3)CC3CC2C1
InChI	InChI=1S/C25H25N3O2/c29-23(8-7-22-2-1-9-30-22)20-3-5-21(6-4-20)28-24(16-26-27-28)25-13-17-10-18(14-25)12-19(11-17)15-25/h1-9,16-19H,10-15H2
InChIK	VKSIEYGUUJSVOK-UHFFFAOYSA-N
TotalMolweight	399.493
Molweight	399.493
MonoisotopicMass	399.194677
CLogP	3.4912
CLogS	-5.978
H Acceptors	5
TotalSurfaceArea	303.41
Relative PSA	0.18444
PolarSurfaceArea	60.92
Druglikeness	-1.9769
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	6
Small Rings	7
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	10
Symmetricatoms	8
Aromatic Nitrogens	3
StereoCon

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