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(E)-4-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-4-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)but-2-enamide

Formula:C31H28N4O3Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-4-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)but-2-enamide is not a drug-like molecule.
MolName(E)-4-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-4-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)but-2-enamide
MolecularFormulaC31H28N4O3Cl2S
SmilesO=C(/C=C/C(N(CC1)CCC1c1nc(-c2cc(-c(cc3)cc(Cl)c3Cl)no2)cs1)=O)Nc1c(CCCC2)c2ccc1
InChIInChI=1S/C31H28Cl2N4O3S/c32-23-9-8-21(16-24(23)33)26-17-28(40-36-26)27-18-41-31(35-27)20-12-14-37(15-13-20)30(39)11-10-29(38)34-25-7-3-5-19-4-1-2-6-22(19)25/h3,5,7-11,16-18,20H,1-2,4,6,12-15H2,(H,34,38)
InChIKLHDGHCGBLZXHDC-UHFFFAOYSA-N
TotalMolweight607.56
Molweight607.56
MonoisotopicMass606.125915
CLogP7.0418
CLogS-7.503
H Acceptors7
H Donors1
TotalSurfaceArea445.87
Relative PSA0.21867
PolarSurfaceArea116.57
Druglikeness0.56362
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.60976
Fragments1
Non HAtoms41
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond6
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms9
Symmetricatoms2
Amides2
Aromatic Nitrogens2
StereoCon

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