4-amino-N-[(1E,3E)-1-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)-4-(furan-2-yl)buta-1,3-dienyl]benzamide

Formula:C30H20N4O4 Mutagenic:low Tumorigenic:none Reproductive Effective:low 4-amino-N-[(1E,3E)-1-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)-4-(furan-2-yl)buta-1,3-dienyl]benzamide is not a drug-like molecule.

MolName	4-amino-N-[(1E,3E)-1-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)-4-(furan-2-yl)buta-1,3-dienyl]benzamide
MolecularFormula	C30H20N4O4
Smiles	Nc(cc1)ccc1C(N/C(/c1nc(c(C(c2c3cccc2)=O)c(cc2)C3=O)c2[nH]1)=C/C=C/c1ccco1)=O
InChI	InChI=1S/C30H20N4O4/c31-18-12-10-17(11-13-18)30(37)33-24(9-3-5-19-6-4-16-38-19)29-32-23-15-14-22-25(26(23)34-29)28(36)21-8-2-1-7-20(21)27(22)35/h1-16H,31H2,(H,32,34)(H,33,37)
InChIK	NXYPOZHHRVRHCP-UHFFFAOYSA-N
TotalMolweight	500.513
Molweight	500.513
MonoisotopicMass	500.148456
CLogP	4.6466
CLogS	-7.408
H Acceptors	8
H Donors	3
TotalSurfaceArea	376.1
Relative PSA	0.27897
PolarSurfaceArea	131.08
Druglikeness	2.5234
Mutagenic	low
Tumorigenic	none
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.44737
Fragments	1
Non HAtoms	38
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	26
Symmetricatoms	2
Amides	1
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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1 - 4-amino-N-[(1E,3E)-1-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)-4-(furan-2-yl)buta-1,3-dienyl]benzamide | 2 - 4-amino-N-[(1E,3E)-1-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)-4-(furan-2-yl)buta-1,3-dienyl]benzamide

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