N-[4-[[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide

Formula:C24H25N4O3FS Mutagenic:high Tumorigenic:none Reproductive Effective:high N-[4-[[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide is a drug-like molecule.

MolName	N-[4-[[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide
MolecularFormula	C24H25N4O3FS
Smiles	O=C(C1CCCCC1)Nc(cc1)ccc1C(NNC(NC(/C=C/c(cc1)ccc1F)=O)=S)=O
InChI	InChI=1S/C24H25FN4O3S/c25-19-11-6-16(7-12-19)8-15-21(30)27-24(33)29-28-23(32)18-9-13-20(14-10-18)26-22(31)17-4-2-1-3-5-17/h6-15,17H,1-5H2,(H,26,31)(H,28,32)(H2,27,29,30,33)
InChIK	MAFLUWGDXZFFMF-UHFFFAOYSA-N
TotalMolweight	468.552
Molweight	468.552
MonoisotopicMass	468.163139
CLogP	3.2778
CLogS	-6.207
H Acceptors	7
H Donors	4
TotalSurfaceArea	365.47
Relative PSA	0.30908
PolarSurfaceArea	131.42
Druglikeness	-3.9064
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.69697
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	6
Amides	2
StereoCon

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1 - N-[4-[[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide | 2 - N-[4-[[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide

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