2,4-dichloro-N-[(Z)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide

Formula:C30H25N4O2Cl2F Mutagenic:none Tumorigenic:none Reproductive Effective:none 2,4-dichloro-N-[(Z)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	2,4-dichloro-N-[(Z)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
MolecularFormula	C30H25N4O2Cl2F
Smiles	O=C(/C(/NC(c(ccc(Cl)c1)c1Cl)=O)=C/c1cn(-c2ccccc2)nc1-c(cc1)ccc1F)N1CCCCC1
InChI	InChI=1S/C30H25Cl2FN4O2/c31-22-11-14-25(26(32)18-22)29(38)34-27(30(39)36-15-5-2-6-16-36)17-21-19-37(24-7-3-1-4-8-24)35-28(21)20-9-12-23(33)13-10-20/h1,3-4,7-14,17-19H,2,5-6,15-16H2,(H,34,38)
InChIK	CZRZUOCIGZCERU-UHFFFAOYSA-N
TotalMolweight	563.459
Molweight	563.459
MonoisotopicMass	562.133858
CLogP	6.3464
CLogS	-7.259
H Acceptors	6
H Donors	1
TotalSurfaceArea	414.96
Relative PSA	0.14201
PolarSurfaceArea	67.23
Druglikeness	3.9713
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.41026
Fragments	1
Non HAtoms	39
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	5
Symmetricatoms	6
Amides	2
Aromatic Nitrogens	2
StereoCon

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