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N-(1-adamantyl)-4-[(5E)-5-[3-[4-(1-adamantylamino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide

Formula:C34H44N4O4S4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(1-adamantyl)-4-[(5E)-5-[3-[4-(1-adamantylamino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide is not a drug-like molecule.
MolNameN-(1-adamantyl)-4-[(5E)-5-[3-[4-(1-adamantylamino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
MolecularFormulaC34H44N4O4S4
SmilesO=C(CCCN(C(/C(/S1)=C(/C(N2CCCC(NC3(CC(C4)C5)CC5CC4C3)=O)=O)\SC2=S)=O)C1=S)NC1(CC(C2)C3)CC3CC2C1
InChIInChI=1S/C34H44N4O4S4/c39-25(35-33-13-19-7-20(14-33)9-21(8-19)15-33)3-1-5-37-29(41)27(45-31(37)43)28-30(42)38(32(44)46-28)6-2-4-26(40)36-34-16-22-10-23(17-34)12-24(11-22)18-34/h19-24H,1-18H2,(H,35,39)(H,36,40)
InChIKKJHQATFESADADT-UHFFFAOYSA-N
TotalMolweight701.011
Molweight701.011
MonoisotopicMass700.224536
CLogP3.063
CLogS-7.808
H Acceptors8
H Donors2
TotalSurfaceArea486.84
Relative PSA0.35568
PolarSurfaceArea213.6
Druglikeness4.6211
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.52174
Fragments1
Non HAtoms46
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond10
Rings Closures8
Small Rings10
Sp3Atoms30
Symmetricatoms29
Amides4
StereoCon

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