7-benzyl-1-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione

Formula:C20H17N4O2F Mutagenic:none Tumorigenic:none Reproductive Effective:none 7-benzyl-1-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione is a drug-like molecule.

MolName	7-benzyl-1-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione
MolecularFormula	C20H17N4O2F
Smiles	CN(c1c(C(N2Cc(cccc3)c3F)=O)n(Cc3ccccc3)cn1)C2=O
InChI	InChI=1S/C20H17FN4O2/c1-23-18-17(24(13-22-18)11-14-7-3-2-4-8-14)19(26)25(20(23)27)12-15-9-5-6-10-16(15)21/h2-10,13H,11-12H2,1H3
InChIK	SNWBDFPUIISOQK-UHFFFAOYSA-N
TotalMolweight	364.379
Molweight	364.379
MonoisotopicMass	364.133554
CLogP	2.698
CLogS	-3.571
H Acceptors	6
TotalSurfaceArea	269.47
Relative PSA	0.18933
PolarSurfaceArea	58.44
Druglikeness	2.1487
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	2
StereoCon

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