(E)-2-(1H-benzimidazol-2-yl)-3-[2-[[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenoxy]methoxy]phenyl]prop-2-enenitrile

Formula:C33H22N6O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-3-[2-[[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenoxy]methoxy]phenyl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-[2-[[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenoxy]methoxy]phenyl]prop-2-enenitrile
MolecularFormula	C33H22N6O2
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c(cccc1)c1OCOc1c(/C=C(/c2nc(cccc3)c3[nH]2)\C#N)cccc1
InChI	InChI=1S/C33H22N6O2/c34-19-24(32-36-26-11-3-4-12-27(26)37-32)17-22-9-1-7-15-30(22)40-21-41-31-16-8-2-10-23(31)18-25(20-35)33-38-28-13-5-6-14-29(28)39-33/h1-18H,21H2,(H,36,37)(H,38,39)
InChIK	YXAPUROJTUJDET-UHFFFAOYSA-N
TotalMolweight	534.578
Molweight	534.578
MonoisotopicMass	534.180424
CLogP	5.3582
CLogS	-6.429
H Acceptors	8
H Donors	2
TotalSurfaceArea	425
Relative PSA	0.22833
PolarSurfaceArea	123.4
Druglikeness	-3.8507
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5122
Fragments	1
Non HAtoms	41
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	30
Sp3Atoms	3
Symmetricatoms	20
Aromatic Nitrogens	4
BasicNitrogens	2
StereoCon

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1 - (E)-2-(1H-benzimidazol-2-yl)-3-[2-[[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenoxy]methoxy]phenyl]prop-2-enenitrile | 2 - (E)-2-(1H-benzimidazol-2-yl)-3-[2-[[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenoxy]methoxy]phenyl]prop-2-enenitrile

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