2-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]anthracene-9,10-dione

Formula:C30H26N2O4S Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]anthracene-9,10-dione is not a drug-like molecule.

MolName	2-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]anthracene-9,10-dione
MolecularFormula	C30H26N2O4S
Smiles	O=C(/C=C/c1cscc1)N1CCC(CC2)(CN2C(c(cc2)cc(C(c3c4cccc3)=O)c2C4=O)=O)CC1
InChI	InChI=1S/C30H26N2O4S/c33-26(8-5-20-9-16-37-18-20)31-13-10-30(11-14-31)12-15-32(19-30)29(36)21-6-7-24-25(17-21)28(35)23-4-2-1-3-22(23)27(24)34/h1-9,16-18H,10-15,19H2
InChIK	DVGHBUUYMMNGTQ-UHFFFAOYSA-N
TotalMolweight	510.612
Molweight	510.612
MonoisotopicMass	510.161328
CLogP	5.4228
CLogS	-6.627
H Acceptors	6
TotalSurfaceArea	373.05
Relative PSA	0.21343
PolarSurfaceArea	103
Druglikeness	5.2967
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.56757
Fragments	1
Non HAtoms	37
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	6
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	8
Symmetricatoms	2
Amides	2
StereoCon

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1 - 2-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]anthracene-9,10-dione | 2 - 2-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]anthracene-9,10-dione

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