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

Formula:C14H14N3O5Cl3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2,5,6-trichloro-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyindole-3-carboximidamide is a drug-like molecule.

MolName	2,5,6-trichloro-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyindole-3-carboximidamide
MolecularFormula	C14H14N3O5Cl3
Smiles	N/C(/c(c(c(n1[C@@H]([C@@H]2O)O[C@H](CO)[C@H]2O)c2)cc(Cl)c2Cl)c1Cl)=N/O
InChI	InChI=1S/C14H14Cl3N3O5/c15-5-1-4-7(2-6(5)16)20(12(17)9(4)13(18)19-24)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	INHHFVHTXSGRGK-HJUHTLPRSA-N
TotalMolweight	410.64
Molweight	410.64
MonoisotopicMass	408.999903
CLogP	1.9305
CLogS	-4.632
H Acceptors	8
H Donors	5
TotalSurfaceArea	260.47
Relative PSA	0.36876
PolarSurfaceArea	133.46
Druglikeness	-0.48501
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 - 2,5,6-trichloro-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyindole-3-carboximidamide | 2 - 2,5,6-trichloro-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyindole-3-carboximidamide

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