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(Z)-1-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]-N-[(Z)-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]methylideneamino]methanimine

Formula:C34H36N6O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]-N-[(Z)-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]methylideneamino]methanimine is not a drug-like molecule.
MolName(Z)-1-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]-N-[(Z)-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]methylideneamino]methanimine
MolecularFormulaC34H36N6O6
Smiles[O-][N+](c1cccc(/C=C(\CC2)/C(N3CCOCC3)=C2/C=N\N=C/C(CC/C2=C\c3cccc([N+]([O-])=O)c3)=C2N2CCOCC2)c1)=O
InChIInChI=1S/C34H36N6O6/c41-39(42)31-5-1-3-25(21-31)19-27-7-9-29(33(27)37-11-15-45-16-12-37)23-35-36-24-30-10-8-28(34(30)38-13-17-46-18-14-38)20-26-4-2-6-32(22-26)40(43)44/h1-6,19-24H,7-18H2
InChIKKWCVZOBZSHUIBN-UHFFFAOYSA-N
TotalMolweight624.696
Molweight624.696
MonoisotopicMass624.269634
CLogP4.1014
CLogS-6.184
H Acceptors12
TotalSurfaceArea476.86
Relative PSA0.23269
PolarSurfaceArea141.3
Druglikeness-2.277
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde
Shape Index0.47826
Fragments1
Non HAtoms46
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond9
Rings Closures6
Small Rings6
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms16
Symmetricatoms25
AcidicOxygens2
StereoCon

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