4-chloro-N-[(E)-1-[5-(4-chlorophenyl)furan-2-yl]-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]benzamide

Formula:C27H27N3O4Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-chloro-N-[(E)-1-[5-(4-chlorophenyl)furan-2-yl]-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	4-chloro-N-[(E)-1-[5-(4-chlorophenyl)furan-2-yl]-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C27H27N3O4Cl2
Smiles	O=C(/C(/NC(c(cc1)ccc1Cl)=O)=C\c1ccc(-c(cc2)ccc2Cl)o1)NCCCN1CCOCC1
InChI	InChI=1S/C27H27Cl2N3O4/c28-21-6-2-19(3-7-21)25-11-10-23(36-25)18-24(31-26(33)20-4-8-22(29)9-5-20)27(34)30-12-1-13-32-14-16-35-17-15-32/h2-11,18H,1,12-17H2,(H,30,34)(H,31,33)
InChIK	NXTMGNFQRIWURJ-UHFFFAOYSA-N
TotalMolweight	528.434
Molweight	528.434
MonoisotopicMass	527.137861
CLogP	4.9892
CLogS	-6.058
H Acceptors	7
H Donors	2
TotalSurfaceArea	399.56
Relative PSA	0.19186
PolarSurfaceArea	83.81
Druglikeness	5.6873
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	9
Symmetricatoms	6
Amides	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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1 - 4-chloro-N-[(E)-1-[5-(4-chlorophenyl)furan-2-yl]-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]benzamide | 2 - 4-chloro-N-[(E)-1-[5-(4-chlorophenyl)furan-2-yl]-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]benzamide

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