(E)-3-(2,6-dichlorophenyl)-1-[4-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]-1,4-diazepan-1-yl]prop-2-en-1-one

Formula:C23H20N2O2Cl4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2,6-dichlorophenyl)-1-[4-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]-1,4-diazepan-1-yl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-(2,6-dichlorophenyl)-1-[4-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]-1,4-diazepan-1-yl]prop-2-en-1-one
MolecularFormula	C23H20N2O2Cl4
Smiles	O=C(/C=C/c(c(Cl)ccc1)c1Cl)N(CCC1)CCN1C(/C=C/c(c(Cl)ccc1)c1Cl)=O
InChI	InChI=1S/C23H20Cl4N2O2/c24-18-4-1-5-19(25)16(18)8-10-22(30)28-12-3-13-29(15-14-28)23(31)11-9-17-20(26)6-2-7-21(17)27/h1-2,4-11H,3,12-15H2
InChIK	WMYDXEBPNBYPDJ-UHFFFAOYSA-N
TotalMolweight	498.236
Molweight	498.236
MonoisotopicMass	496.027886
CLogP	6.3682
CLogS	-6.234
H Acceptors	4
TotalSurfaceArea	359.1
Relative PSA	0.092398
PolarSurfaceArea	40.62
Druglikeness	2.937
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	18
Amides	2
StereoCon

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1 - (E)-3-(2,6-dichlorophenyl)-1-[4-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]-1,4-diazepan-1-yl]prop-2-en-1-one | 2 - (E)-3-(2,6-dichlorophenyl)-1-[4-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]-1,4-diazepan-1-yl]prop-2-en-1-one

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