1-[(Z)-(2,4-dimorpholin-4-yl-5-nitrophenyl)methylideneamino]-3-phenylurea

Formula:C22H26N6O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(Z)-(2,4-dimorpholin-4-yl-5-nitrophenyl)methylideneamino]-3-phenylurea is not a drug-like molecule.

MolName	1-[(Z)-(2,4-dimorpholin-4-yl-5-nitrophenyl)methylideneamino]-3-phenylurea
MolecularFormula	C22H26N6O5
Smiles	[O-][N+](c(cc(/C=N\NC(Nc1ccccc1)=O)c(N1CCOCC1)c1)c1N1CCOCC1)=O
InChI	InChI=1S/C22H26N6O5/c29-22(24-18-4-2-1-3-5-18)25-23-16-17-14-21(28(30)31)20(27-8-12-33-13-9-27)15-19(17)26-6-10-32-11-7-26/h1-5,14-16H,6-13H2,(H2,24,25,29)
InChIK	PJJAJUWUESTMIN-UHFFFAOYSA-N
TotalMolweight	454.485
Molweight	454.485
MonoisotopicMass	454.196469
CLogP	1.6119
CLogS	-4.903
H Acceptors	11
H Donors	2
TotalSurfaceArea	345.8
Relative PSA	0.30361
PolarSurfaceArea	124.25
Druglikeness	-0.50186
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	13
Symmetricatoms	6
Amides	1
Amines	2
Aromatic Amines	2
AcidicOxygens	1
StereoCon

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