(E)-N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide

Formula:C27H24N2O3Cl2 Mutagenic:none Tumorigenic:high Reproductive Effective:high (E)-N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
MolecularFormula	C27H24N2O3Cl2
Smiles	CC[C@@H](C)c(cc1)cc2c1oc(-c(cc1)ccc1NC(/C=C/c1cc(Cl)cc(Cl)c1OC)=O)n2
InChI	InChI=1S/C27H24Cl2N2O3/c1-4-16(2)18-7-11-24-23(14-18)31-27(34-24)17-5-9-21(10-6-17)30-25(32)12-8-19-13-20(28)15-22(29)26(19)33-3/h5-16H,4H2,1-3H3,(H,30,32)/t16-/m1/s1
InChIK	IXYBXYLDDWFWFS-MRXNPFEDSA-N
TotalMolweight	495.405
Molweight	495.405
MonoisotopicMass	494.116397
CLogP	7.5745
CLogS	-9.119
H Acceptors	5
H Donors	1
TotalSurfaceArea	375.42
Relative PSA	0.1587
PolarSurfaceArea	64.36
Druglikeness	0.54562
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	6
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon	this enantiomer

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1 - (E)-N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide | 2 - (E)-N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide

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