3-phenyl-8-(piperidine-1-carbonyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one

Formula:C16H16N6O2 Mutagenic:high Tumorigenic:high Reproductive Effective:high 3-phenyl-8-(piperidine-1-carbonyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one is a drug-like molecule.

MolName	3-phenyl-8-(piperidine-1-carbonyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one
MolecularFormula	C16H16N6O2
Smiles	O=C(c(ncn12)c2N=NN(c2ccccc2)C1=O)N1CCCCC1
InChI	InChI=1S/C16H16N6O2/c23-15(20-9-5-2-6-10-20)13-14-18-19-22(12-7-3-1-4-8-12)16(24)21(14)11-17-13/h1,3-4,7-8,11H,2,5-6,9-10H2
InChIK	OLTBLDCDKPJHEX-UHFFFAOYSA-N
TotalMolweight	324.343
Molweight	324.343
MonoisotopicMass	324.133474
CLogP	3.1999
CLogS	-3.62
H Acceptors	8
TotalSurfaceArea	241.9
Relative PSA	0.30608
PolarSurfaceArea	83.16
Druglikeness	-0.89755
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon

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