4-[(E)-2-[2,6-bis[(E)-2-[4-[bis(2-chloroethyl)amino]phenyl]ethenyl]pyrimidin-4-yl]ethenyl]-N,N-bis(2-chloroethyl)aniline

Formula:C40H43N5Cl6 Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-[(E)-2-[2,6-bis[(E)-2-[4-[bis(2-chloroethyl)amino]phenyl]ethenyl]pyrimidin-4-yl]ethenyl]-N,N-bis(2-chloroethyl)aniline is not a drug-like molecule.

MolName	4-[(E)-2-[2,6-bis[(E)-2-[4-[bis(2-chloroethyl)amino]phenyl]ethenyl]pyrimidin-4-yl]ethenyl]-N,N-bis(2-chloroethyl)aniline
MolecularFormula	C40H43N5Cl6
Smiles	ClCCN(CCCl)c1ccc(/C=C/c2nc(/C=C/c(cc3)ccc3N(CCCl)CCCl)nc(/C=C/c(cc3)ccc3N(CCCl)CCCl)c2)cc1
InChI	InChI=1S/C40H43Cl6N5/c41-19-25-49(26-20-42)37-12-3-32(4-13-37)1-10-35-31-36(11-2-33-5-14-38(15-6-33)50(27-21-43)28-22-44)48-40(47-35)18-9-34-7-16-39(17-8-34)51(29-23-45)30-24-46/h1-18,31H,19-30H2
InChIK	ZWBYOFJBKIWIFV-UHFFFAOYSA-N
TotalMolweight	806.534
Molweight	806.534
MonoisotopicMass	803.164957
CLogP	10.218
CLogS	-10.666
H Acceptors	5
TotalSurfaceArea	618.1
Relative PSA	0.052726
PolarSurfaceArea	35.5
Druglikeness	3.6962
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.45098
Fragments	1
Non HAtoms	51
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	21
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	12
Symmetricatoms	27
Amines	3
Aromatic Amines	3
Aromatic Nitrogens	2
StereoCon

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