(2R)-1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]pyrrolidine-2-carboxylic acid

Formula:C24H20NO7F3 Mutagenic:none Tumorigenic:none Reproductive Effective:high (2R)-1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]pyrrolidine-2-carboxylic acid is a drug-like molecule.

MolName	(2R)-1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]pyrrolidine-2-carboxylic acid
MolecularFormula	C24H20NO7F3
Smiles	OC([C@@H]1N(Cc(c(OC(C(F)(F)F)=C2c(cc3)cc4c3OCCO4)c(cc3)C2=O)c3O)CCC1)=O
InChI	InChI=1S/C24H20F3NO7/c25-24(26,27)22-19(12-3-6-17-18(10-12)34-9-8-33-17)20(30)13-4-5-16(29)14(21(13)35-22)11-28-7-1-2-15(28)23(31)32/h3-6,10,15,29H,1-2,7-9,11H2,(H,31,32)/t15-/m1/s1
InChIK	JPLDSUJAXJFNSB-OAHLLOKOSA-N
TotalMolweight	491.417
Molweight	491.417
MonoisotopicMass	491.119188
CLogP	1.9866
CLogS	-4.55
H Acceptors	8
H Donors	2
TotalSurfaceArea	328.46
Relative PSA	0.26131
PolarSurfaceArea	105.53
Druglikeness	-14.181
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.45714
Fragments	1
Non HAtoms	35
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	14
Symmetricatoms	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon	this enantiomer

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1 - (2R)-1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]pyrrolidine-2-carboxylic acid | 2 - (2R)-1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]pyrrolidine-2-carboxylic acid

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