(2R)-2-[7-[(1R)-1-carboxyethyl]-9-oxo-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]propanoic acid

Formula:C25H28N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2R)-2-[7-[(1R)-1-carboxyethyl]-9-oxo-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]propanoic acid is a drug-like molecule.

MolName	(2R)-2-[7-[(1R)-1-carboxyethyl]-9-oxo-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]propanoic acid
MolecularFormula	C25H28N2O5
Smiles	C[C@H](C(O)=O)N(CC(CN(C1)[C@H](C)C(O)=O)(C2=O)c3ccccc3)CC12c1ccccc1
InChI	InChI=1S/C25H28N2O5/c1-17(21(28)29)26-13-24(19-9-5-3-6-10-19)15-27(18(2)22(30)31)16-25(14-26,23(24)32)20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3,(H,28,29)(H,30,31)/t17-,18-,24?,25?/m1/s1
InChIK	DGGMOJGOEDHSFG-LYBIEXDWSA-N
TotalMolweight	436.506
Molweight	436.506
MonoisotopicMass	436.199823
CLogP	-0.5584
CLogS	-2.734
H Acceptors	7
H Donors	2
TotalSurfaceArea	317.95
Relative PSA	0.22777
PolarSurfaceArea	98.15
Druglikeness	4.5076
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.34375
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	2
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	14
Symmetricatoms	18
Amines	2
AlkylAmines	2
BasicNitrogens	2
AcidicOxygens	2
StereoCon	this enantiomer

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1 - (2R)-2-[7-[(1R)-1-carboxyethyl]-9-oxo-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]propanoic acid | 2 - (2R)-2-[7-[(1R)-1-carboxyethyl]-9-oxo-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]propanoic acid

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