3-[[4-chloro-1-(2,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide

Formula:C24H24N4O3Cl3 Mutagenic:high Tumorigenic:high Reproductive Effective:high 3-[[4-chloro-1-(2,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide is not a drug-like molecule.

MolName	3-[[4-chloro-1-(2,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide
MolecularFormula	C24H24N4O3Cl3
Smiles	CN(C1CC[NH+](C)CC1)C(c1cccc(NC(C(N(C2=O)c(cc(cc3)Cl)c3Cl)=O)=C2Cl)c1)=O
InChI	InChI=1S/C24H23Cl3N4O3/c1-29-10-8-17(9-11-29)30(2)22(32)14-4-3-5-16(12-14)28-21-20(27)23(33)31(24(21)34)19-13-15(25)6-7-18(19)26/h3-7,12-13,17,28H,8-11H2,1-2H3/p+1
InChIK	QJYBOPJXMIZBOJ-UHFFFAOYSA-O
TotalMolweight	522.839
Molweight	522.839
MonoisotopicMass	521.091397
CLogP	1.6334
CLogS	-5.497
H Acceptors	7
H Donors	2
TotalSurfaceArea	376.91
Relative PSA	0.1997
PolarSurfaceArea	74.16
Druglikeness	3.4015
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Nasty Functions	2-halo-enone; 3-halo-enone
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	2
Amides	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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