ethyl 2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate

Formula:C30H29N3O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none ethyl 2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is not a drug-like molecule.

MolName	ethyl 2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
MolecularFormula	C30H29N3O6S
Smiles	CCN(CC)C(c1c(C)c(C(OCC)=O)c(NC(c2cc(-c(cc3)cc4c3OCO4)nc3ccccc23)=O)s1)=O
InChI	InChI=1S/C30H29N3O6S/c1-5-33(6-2)29(35)26-17(4)25(30(36)37-7-3)28(40-26)32-27(34)20-15-22(31-21-11-9-8-10-19(20)21)18-12-13-23-24(14-18)39-16-38-23/h8-15H,5-7,16H2,1-4H3,(H,32,34)
InChIK	LZWCHYUHVDDMRH-UHFFFAOYSA-N
TotalMolweight	559.641
Molweight	559.641
MonoisotopicMass	559.177707
CLogP	6.222
CLogS	-7.511
H Acceptors	9
H Donors	1
TotalSurfaceArea	417.67
Relative PSA	0.27644
PolarSurfaceArea	135.3
Druglikeness	2.5186
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.425
Fragments	1
Non HAtoms	40
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	11
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
StereoCon

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1 - ethyl 2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate | 2 - ethyl 2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate

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