[(3R)-4-amino-3-cyano-2-oxopent-4-enyl] (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate

Formula:C23H19N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:high [(3R)-4-amino-3-cyano-2-oxopent-4-enyl] (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate is a drug-like molecule.

MolName	[(3R)-4-amino-3-cyano-2-oxopent-4-enyl] (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
MolecularFormula	C23H19N3O5
Smiles	C=C([C@@H](C(COC([C@@H](Cc1ccccc1)N(C(c1c2cccc1)=O)C2=O)=O)=O)C#N)N
InChI	InChI=1S/C23H19N3O5/c1-14(25)18(12-24)20(27)13-31-23(30)19(11-15-7-3-2-4-8-15)26-21(28)16-9-5-6-10-17(16)22(26)29/h2-10,18-19H,1,11,13,25H2/t18-,19+/m0/s1
InChIK	BOMYZLPWOKWIOV-RBUKOAKNSA-N
TotalMolweight	417.42
Molweight	417.42
MonoisotopicMass	417.132472
CLogP	1.7831
CLogS	-4.057
H Acceptors	8
H Donors	1
TotalSurfaceArea	316.32
Relative PSA	0.29887
PolarSurfaceArea	130.56
Druglikeness	-2.1224
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.41935
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	2
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	7
Amides	1
BasicNitrogens	1
StereoCon	this enantiomer

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