[2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate

Formula:C26H29N3O8F2S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate is not a drug-like molecule.

MolName	[2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
MolecularFormula	C26H29N3O8F2S
Smiles	O=C(COC(/C=C/c(cc1)ccc1OC(F)F)=O)Nc(cc(cc1)S(N2CCOCC2)(=O)=O)c1N1CCOCC1
InChI	InChI=1S/C26H29F2N3O8S/c27-26(28)39-20-4-1-19(2-5-20)3-8-25(33)38-18-24(32)29-22-17-21(40(34,35)31-11-15-37-16-12-31)6-7-23(22)30-9-13-36-14-10-30/h1-8,17,26H,9-16,18H2,(H,29,32)
InChIK	KAVVSXJHQHHAQT-UHFFFAOYSA-N
TotalMolweight	581.591
Molweight	581.591
MonoisotopicMass	581.164343
CLogP	1.5754
CLogS	-3.332
H Acceptors	11
H Donors	1
TotalSurfaceArea	417.7
Relative PSA	0.27106
PolarSurfaceArea	132.09
Druglikeness	0.38368
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.55
Fragments	1
Non HAtoms	40
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	10
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	16
Symmetricatoms	8
Amides	2
Amines	1
Aromatic Amines	1
StereoCon

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1 - [2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate | 2 - [2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate

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