N'-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]adamantane-1-carbohydrazide

Formula:C26H35N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]adamantane-1-carbohydrazide is a drug-like molecule.

MolName	N'-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]adamantane-1-carbohydrazide
MolecularFormula	C26H35N3O4S
Smiles	O=C(C1(CC(C2)C3)CC3CC2C1)NNC(/C=C/c(cc1)ccc1S(N1CCCCCC1)(=O)=O)=O
InChI	InChI=1S/C26H35N3O4S/c30-24(27-28-25(31)26-16-20-13-21(17-26)15-22(14-20)18-26)10-7-19-5-8-23(9-6-19)34(32,33)29-11-3-1-2-4-12-29/h5-10,20-22H,1-4,11-18H2,(H,27,30)(H,28,31)
InChIK	OGEXDQMKGCWLGR-UHFFFAOYSA-N
TotalMolweight	485.647
Molweight	485.647
MonoisotopicMass	485.234827
CLogP	2.9489
CLogS	-5.03
H Acceptors	7
H Donors	2
TotalSurfaceArea	356.09
Relative PSA	0.22784
PolarSurfaceArea	103.96
Druglikeness	-0.2317
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	5
Small Rings	6
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	17
Symmetricatoms	12
Amides	1
StereoCon

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