(1R,2R,3R,4R)-1,4-bis(1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol

Formula:C18H18N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (1R,2R,3R,4R)-1,4-bis(1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol is not a drug-like molecule.

MolName	(1R,2R,3R,4R)-1,4-bis(1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol
MolecularFormula	C18H18N4O4
Smiles	O[C@@H]([C@@H]([C@@H](c1nc(cccc2)c2[nH]1)O)O)[C@@H](c1nc(cccc2)c2[nH]1)O
InChI	InChI=1S/C18H18N4O4/c23-13(15(25)17-19-9-5-1-2-6-10(9)20-17)14(24)16(26)18-21-11-7-3-4-8-12(11)22-18/h1-8,13-16,23-26H,(H,19,20)(H,21,22)/t13-,14-,15-,16-/m0/s1
InChIK	UGRBLAMMQLLLQF-VGWMRTNUSA-N
TotalMolweight	354.365
Molweight	354.365
MonoisotopicMass	354.132806
CLogP	-0.4358
CLogS	-0.89
H Acceptors	8
H Donors	6
TotalSurfaceArea	254.28
Relative PSA	0.40239
PolarSurfaceArea	138.28
Druglikeness	0.71404
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	4
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	18
Sp3Atoms	8
Symmetricatoms	13
Aromatic Nitrogens	4
BasicNitrogens	2
StereoCon	this enantiomer

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