6-[(E)-2-[1-(naphthalen-1-ylmethyl)indol-3-yl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione

Formula:C25H18N4O4 Mutagenic:none Tumorigenic:high Reproductive Effective:none 6-[(E)-2-[1-(naphthalen-1-ylmethyl)indol-3-yl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	6-[(E)-2-[1-(naphthalen-1-ylmethyl)indol-3-yl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C25H18N4O4
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c2cn(Cc3cccc4ccccc34)c3c2cccc3)NC1=O)=O
InChI	InChI=1S/C25H18N4O4/c30-24-23(29(32)33)21(26-25(31)27-24)13-12-18-15-28(22-11-4-3-10-20(18)22)14-17-8-5-7-16-6-1-2-9-19(16)17/h1-13,15H,14H2,(H2,26,27,30,31)
InChIK	HWBVPHQVMSYABY-UHFFFAOYSA-N
TotalMolweight	438.442
Molweight	438.442
MonoisotopicMass	438.132806
CLogP	3.0201
CLogS	-5.99
H Acceptors	8
H Donors	2
TotalSurfaceArea	323.19
Relative PSA	0.26699
PolarSurfaceArea	108.95
Druglikeness	-1.0533
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	2
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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