1,2-bis(benzenesulfonyl)-3-(1,3-benzoxazol-2-yl)guanidine

Formula:C20H16N4O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1,2-bis(benzenesulfonyl)-3-(1,3-benzoxazol-2-yl)guanidine is a drug-like molecule.

MolName	1,2-bis(benzenesulfonyl)-3-(1,3-benzoxazol-2-yl)guanidine
MolecularFormula	C20H16N4O5S2
Smiles	O=S(c1ccccc1)(N/C(/Nc1nc(cccc2)c2o1)=N\S(c1ccccc1)(=O)=O)=O
InChI	InChI=1S/C20H16N4O5S2/c25-30(26,15-9-3-1-4-10-15)23-19(24-31(27,28)16-11-5-2-6-12-16)22-20-21-17-13-7-8-14-18(17)29-20/h1-14H,(H2,21,22,23,24)
InChIK	BUYCSGAGVFYDAZ-UHFFFAOYSA-N
TotalMolweight	456.502
Molweight	456.502
MonoisotopicMass	456.056211
CLogP	3.8633
CLogS	-5.345
H Acceptors	9
H Donors	2
TotalSurfaceArea	318.88
Relative PSA	0.36587
PolarSurfaceArea	147.49
Druglikeness	-4.7815
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.41935
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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