C18H14N3O2FS | Cheminformatics

1-(2,3-dihydroindol-1-yl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

Formula:C18H14N3O2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(2,3-dihydroindol-1-yl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is a drug-like molecule.

MolName1-(2,3-dihydroindol-1-yl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
MolecularFormulaC18H14N3O2FS
SmilesO=C(CSc1nnc(-c(cccc2)c2F)o1)N(CC1)c2c1cccc2
InChIInChI=1S/C18H14FN3O2S/c19-14-7-3-2-6-13(14)17-20-21-18(24-17)25-11-16(23)22-10-9-12-5-1-4-8-15(12)22/h1-8H,9-11H2
InChIKBZBQZCZKATXAJK-UHFFFAOYSA-N
TotalMolweight355.392
Molweight355.392
MonoisotopicMass355.079075
CLogP3.5747
CLogS-5.807
H Acceptors5
TotalSurfaceArea259.66
Relative PSA0.27008
PolarSurfaceArea84.53
Druglikeness3.0758
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.6
Fragments1
Non HAtoms25
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond4
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms4
Amides1
Aromatic Nitrogens2
StereoCon

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