1-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-4-phenylpiperazine

Formula:C20H26N6O Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-4-phenylpiperazine is a drug-like molecule.

MolName	1-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-4-phenylpiperazine
MolecularFormula	C20H26N6O
Smiles	CC(C)[C@H](c1nnnn1Cc1ccco1)N(CC1)CCN1c1ccccc1
InChI	InChI=1S/C20H26N6O/c1-16(2)19(20-21-22-23-26(20)15-18-9-6-14-27-18)25-12-10-24(11-13-25)17-7-4-3-5-8-17/h3-9,14,16,19H,10-13,15H2,1-2H3/t19-/m1/s1
InChIK	LIRIRIQFHHWFEJ-LJQANCHMSA-N
TotalMolweight	366.467
Molweight	366.467
MonoisotopicMass	366.216809
CLogP	2.0433
CLogS	-2.132
H Acceptors	7
TotalSurfaceArea	293.37
Relative PSA	0.20789
PolarSurfaceArea	63.22
Druglikeness	3.673
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	10
Symmetricatoms	5
Amines	2
AlkylAmines	1
Aromatic Amines	1
Aromatic Nitrogens	4
BasicNitrogens	1
StereoCon	this enantiomer

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