(E)-N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide

Formula:C31H35N3O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
MolecularFormula	C31H35N3O6
Smiles	O=C(CN(CCCN1CCOCC1)C(/C=C/c1ccccc1)=O)N(Cc1ccco1)Cc(cc1)cc2c1OCO2
InChI	InChI=1S/C31H35N3O6/c35-30(12-10-25-6-2-1-3-7-25)33(14-5-13-32-15-18-37-19-16-32)23-31(36)34(22-27-8-4-17-38-27)21-26-9-11-28-29(20-26)40-24-39-28/h1-4,6-12,17,20H,5,13-16,18-19,21-24H2
InChIK	FTATXHSMFFOYFY-UHFFFAOYSA-N
TotalMolweight	545.634
Molweight	545.634
MonoisotopicMass	545.252587
CLogP	3.3038
CLogS	-3.833
H Acceptors	9
TotalSurfaceArea	429.73
Relative PSA	0.18812
PolarSurfaceArea	84.69
Druglikeness	2.2811
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.425
Fragments	1
Non HAtoms	40
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	12
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	15
Symmetricatoms	4
Amides	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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1 - (E)-N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide | 2 - (E)-N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide

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