(Z)-2-(1H-benzimidazol-2-yl)-1-(3-chlorophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one

Formula:C26H22N3O2Cl Mutagenic:high Tumorigenic:low Reproductive Effective:none (Z)-2-(1H-benzimidazol-2-yl)-1-(3-chlorophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(Z)-2-(1H-benzimidazol-2-yl)-1-(3-chlorophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
MolecularFormula	C26H22N3O2Cl
Smiles	O=C(/C(/c1nc(cccc2)c2[nH]1)=C\c(cc1)ccc1N1CCOCC1)c1cccc(Cl)c1
InChI	InChI=1S/C26H22ClN3O2/c27-20-5-3-4-19(17-20)25(31)22(26-28-23-6-1-2-7-24(23)29-26)16-18-8-10-21(11-9-18)30-12-14-32-15-13-30/h1-11,16-17H,12-15H2,(H,28,29)
InChIK	XPVLVQSVOHDDCB-UHFFFAOYSA-N
TotalMolweight	443.933
Molweight	443.933
MonoisotopicMass	443.140054
CLogP	4.4047
CLogS	-5.131
H Acceptors	5
H Donors	1
TotalSurfaceArea	335.43
Relative PSA	0.15368
PolarSurfaceArea	58.22
Druglikeness	2.97
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	5
Symmetricatoms	4
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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