N-[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]adamantane-1-carboxamide

Formula:C24H26N2O3 Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]adamantane-1-carboxamide is a drug-like molecule.

MolNameN-[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]adamantane-1-carboxamide
MolecularFormulaC24H26N2O3
SmilesO=C(C1(CC(C2)C3)CC3CC2C1)Nc1cccc(NC(/C=C/c2ccco2)=O)c1
InChIInChI=1S/C24H26N2O3/c27-22(7-6-21-5-2-8-29-21)25-19-3-1-4-20(12-19)26-23(28)24-13-16-9-17(14-24)11-18(10-16)15-24/h1-8,12,16-18H,9-11,13-15H2,(H,25,27)(H,26,28)
InChIKLDKIFMQAZPNYCJ-UHFFFAOYSA-N
TotalMolweight390.481
Molweight390.481
MonoisotopicMass390.194343
CLogP3.9258
CLogS-5.677
H Acceptors5
H Donors2
TotalSurfaceArea297.6
Relative PSA0.21206
PolarSurfaceArea71.34
Druglikeness1.285
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.55172
Fragments1
Non HAtoms29
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond5
Rings Closures5
Small Rings6
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms10
Symmetricatoms6
Amides2
StereoCon

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