2-[4-[[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]phenyl]sulfonylguanidine
Molecular Formula : C16H15N4O3FS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |2-[4-[[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]phenyl]sulfonylguanidine is a drug-like molecule.
MolName : 2-[4-[[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]phenyl]sulfonylguanidine |
MolecularFormula : C16H15N4O3FS |
Smiles : NC(N)=NS(c(cc1)ccc1N/C=C/C(c(cc1)ccc1F)=O)(=O)=O |
InChI : InChI=1S/C16H15FN4O3S/c17-12-3-1-11(2-4-12)15(22)9-10-20-13-5-7-14(8-6-13)25(23,24)21-16(18)19/h1-10,20H,(H4,18,19,21) |
InChIK : XGVVTNSFFIIEPV-UHFFFAOYSA-N |
TotalMolweight : 362.384 |
Molweight : 362.384 |
MonoisotopicMass : 362.084889 |
CLogP : 0.7989 |
CLogS : -4.374 |
H Acceptors : 7 |
H Donors : 3 |
TotalSurfaceArea : 263.67 |
Relative PSA : 0.36079 |
PolarSurfaceArea : 136.02 |
Druglikeness : 3.6965 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.68 |
Fragments : 1 |
Non HAtoms : 25 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 5 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 1 |
Symmetricatoms : 6 |
BasicNitrogens : 1 |
StereoCon : |