(2S)-4-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-[(2S,4S)-2-hydroxy-5-[[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino]-5-oxo-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pentyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

Formula:C41H42N6O7ClF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2S)-4-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-[(2S,4S)-2-hydroxy-5-[[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino]-5-oxo-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pentyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is not a drug-like molecule.

MolName	(2S)-4-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-[(2S,4S)-2-hydroxy-5-[[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino]-5-oxo-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pentyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
MolecularFormula	C41H42N6O7ClF3
Smiles	O[C@@H](C[C@@H](Cc1nnc(-c2ccccc2)o1)C(N[C@H]1c(cccc2)c2OC[C@H]1O)=O)CN(CCN(Cc1ccc(-c(cc2)ccc2Cl)o1)C1)[C@@H]1C(NCC(F)(F)F)=O
InChI	InChI=1S/C41H42ClF3N6O7/c42-28-12-10-25(11-13-28)34-15-14-30(57-34)21-50-16-17-51(32(22-50)39(55)46-24-41(43,44)45)20-29(52)18-27(19-36-48-49-40(58-36)26-6-2-1-3-7-26)38(54)47-37-31-8-4-5-9-35(31)56-23-33(37)53/h1-15,27,29,32-33,37,52-53H,16-24H2,(H,46,55
InChIK	CSSRPUUGHFUJEL-SLPOKCQDSA-N
TotalMolweight	823.266
Molweight	823.266
MonoisotopicMass	822.27556
CLogP	4.6035
CLogS	-7.395
H Acceptors	13
H Donors	4
TotalSurfaceArea	595.14
Relative PSA	0.23937
PolarSurfaceArea	166.43
Druglikeness	0.89916
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.43103
Fragments	1
Non HAtoms	58
NonCHAtoms	17
Electronegative Atoms	17
StereoCenters	5
Rotatable Bond	15
Rings Closures	7
Small Rings	7
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	20
Symmetricatoms	6
Amides	2
Amines	2
AlkylAmines	2
Aromatic Nitrogens	2
BasicNitrogens	2
StereoCon	this enantiomer

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1 - (2S)-4-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-[(2S,4S)-2-hydroxy-5-[[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino]-5-oxo-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pentyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide | 2 - (2S)-4-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-[(2S,4S)-2-hydroxy-5-[[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino]-5-oxo-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pentyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

Request More Details | (2S)-4-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-[(2S,4S)-2-hydroxy-5-[[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino]-5-oxo-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pentyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

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