1-(4-chlorophenyl)-3-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]urea

Formula:C22H22N5O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-chlorophenyl)-3-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]urea is a drug-like molecule.

MolName1-(4-chlorophenyl)-3-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]urea
MolecularFormulaC22H22N5O3Cl
SmilesO=C(Cn1c(cccc2)c2c(/C=N\NC(Nc(cc2)ccc2Cl)=O)c1)N1CCOCC1
InChIInChI=1S/C22H22ClN5O3/c23-17-5-7-18(8-6-17)25-22(30)26-24-13-16-14-28(20-4-2-1-3-19(16)20)15-21(29)27-9-11-31-12-10-27/h1-8,13-14H,9-12,15H2,(H2,25,26,30)
InChIKMVOCSNAZDAZUPO-UHFFFAOYSA-N
TotalMolweight439.902
Molweight439.902
MonoisotopicMass439.141117
CLogP3.1426
CLogS-4.338
H Acceptors8
H Donors2
TotalSurfaceArea331.02
Relative PSA0.24449
PolarSurfaceArea87.96
Druglikeness6.1825
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.6129
Fragments1
Non HAtoms31
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms15
Sp3Atoms6
Symmetricatoms4
Amides2
Aromatic Nitrogens1
StereoCon

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