2-amino-8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxychromen-4-one

Formula:C23H23N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-amino-8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxychromen-4-one is a drug-like molecule.

MolName	2-amino-8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxychromen-4-one
MolecularFormula	C23H23N3O3S
Smiles	NC(Oc1c2ccc(O)c1CN1CCCCCC1)=C(c1nc(cccc3)c3s1)C2=O
InChI	InChI=1S/C23H23N3O3S/c24-22-19(23-25-16-7-3-4-8-18(16)30-23)20(28)14-9-10-17(27)15(21(14)29-22)13-26-11-5-1-2-6-12-26/h3-4,7-10,27H,1-2,5-6,11-13,24H2
InChIK	ZMHXYKHSAGVCPK-UHFFFAOYSA-N
TotalMolweight	421.52
Molweight	421.52
MonoisotopicMass	421.146012
CLogP	3.216
CLogS	-5.39
H Acceptors	6
H Donors	2
TotalSurfaceArea	307.48
Relative PSA	0.28064
PolarSurfaceArea	116.92
Druglikeness	-0.25578
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	10
Symmetricatoms	3
Amines	1
AlkylAmines	1
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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