4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutanoic acid

Formula:C13H15NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutanoic acid is a drug-like molecule.

MolName	4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
MolecularFormula	C13H15NO3
Smiles	C[C@@H](C1)N(C(CCC(O)=O)=O)c2c1cccc2
InChI	InChI=1S/C13H15NO3/c1-9-8-10-4-2-3-5-11(10)14(9)12(15)6-7-13(16)17/h2-5,9H,6-8H2,1H3,(H,16,17)/t9-/m0/s1
InChIK	ODIZGPXUVVEESJ-VIFPVBQESA-N
TotalMolweight	233.266
Molweight	233.266
MonoisotopicMass	233.105194
CLogP	1.7073
CLogS	-2.676
H Acceptors	4
H Donors	1
TotalSurfaceArea	177.95
Relative PSA	0.24012
PolarSurfaceArea	57.61
Druglikeness	1.686
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58824
Fragments	1
Non HAtoms	17
NonCHAtoms	4
Electronegative Atoms	4
StereoCenters	1
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Amides	1
AcidicOxygens	1
StereoCon	this enantiomer

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