2-bromo-5,6-dichloro-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyindole-3-carboximidamide

Formula:C14H14N3O5BrCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-bromo-5,6-dichloro-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyindole-3-carboximidamide is a drug-like molecule.

MolName	2-bromo-5,6-dichloro-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyindole-3-carboximidamide
MolecularFormula	C14H14N3O5BrCl2
Smiles	N/C(/c(c(cc(c(Cl)c1)Cl)c1n1[C@@H]([C@@H]2O)O[C@H](CO)[C@H]2O)c1Br)=N/O
InChI	InChI=1S/C14H14BrCl2N3O5/c15-12-9(13(18)19-24)4-1-5(16)6(17)2-7(4)20(12)14-11(23)10(22)8(3-21)25-14/h1-2,8,10-11,14,21-24H,3H2,(H2,18,19)/t8-,10-,11+,14+/m0/s1
InChIK	AAUUDUZZDIQFPS-HJUHTLPRSA-N
TotalMolweight	455.091
Molweight	455.091
MonoisotopicMass	452.949387
CLogP	2.0497
CLogS	-4.73
H Acceptors	8
H Donors	5
TotalSurfaceArea	263.68
Relative PSA	0.36427
PolarSurfaceArea	133.46
Druglikeness	-3.8994
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44
Fragments	1
Non HAtoms	25
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	4
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	10
Aromatic Nitrogens	1
StereoCon	this enantiomer

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1 - 2-bromo-5,6-dichloro-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyindole-3-carboximidamide | 2 - 2-bromo-5,6-dichloro-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyindole-3-carboximidamide

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