[2-(1-adamantyl)-2-oxoethyl] (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate

Formula:C29H31NO5S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(1-adamantyl)-2-oxoethyl] (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate is not a drug-like molecule.

MolName	[2-(1-adamantyl)-2-oxoethyl] (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate
MolecularFormula	C29H31NO5S
Smiles	O=C(COC(/C=C/c(cc1)ccc1S(N(CC1)c2c1cccc2)(=O)=O)=O)C1(CC(C2)C3)CC3CC2C1
InChI	InChI=1S/C29H31NO5S/c31-27(29-16-21-13-22(17-29)15-23(14-21)18-29)19-35-28(32)10-7-20-5-8-25(9-6-20)36(33,34)30-12-11-24-3-1-2-4-26(24)30/h1-10,21-23H,11-19H2
InChIK	MTYLGPVSBUVQGF-UHFFFAOYSA-N
TotalMolweight	505.633
Molweight	505.633
MonoisotopicMass	505.192294
CLogP	4.2232
CLogS	-6.296
H Acceptors	6
TotalSurfaceArea	361.65
Relative PSA	0.18861
PolarSurfaceArea	89.13
Druglikeness	4.1302
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	36
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	6
Small Rings	7
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	15
Symmetricatoms	9
Amides	1
StereoCon

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