4-[[(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-N-naphthalen-1-ylbenzamide

Formula:C30H20N2O3Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[[(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-N-naphthalen-1-ylbenzamide is not a drug-like molecule.

MolName4-[[(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-N-naphthalen-1-ylbenzamide
MolecularFormulaC30H20N2O3Cl2
SmilesO=C(/C=C/c1ccc(-c(ccc(Cl)c2)c2Cl)o1)Nc(cc1)ccc1C(Nc1cccc2ccccc12)=O
InChIInChI=1S/C30H20Cl2N2O3/c31-21-10-15-25(26(32)18-21)28-16-13-23(37-28)14-17-29(35)33-22-11-8-20(9-12-22)30(36)34-27-7-3-5-19-4-1-2-6-24(19)27/h1-18H,(H,33,35)(H,34,36)
InChIKQPGRIGIAYYXDGW-UHFFFAOYSA-N
TotalMolweight527.406
Molweight527.406
MonoisotopicMass526.085097
CLogP7.6291
CLogS-9.548
H Acceptors5
H Donors2
TotalSurfaceArea392.59
Relative PSA0.16075
PolarSurfaceArea71.34
Druglikeness1.102
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.62162
Fragments1
Non HAtoms37
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings5
Aromatic Atoms27
Symmetricatoms2
Amides2
StereoCon

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