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(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol

Formula:C17H34N4O10 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol is not a drug-like molecule.
MolName(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
MolecularFormulaC17H34N4O10
SmilesNC[C@H]([C@H]([C@@H]([C@H]1N)O)O)O[C@@H]1O[C@H]([C@H](C[C@H]([C@@H]1O)N)N)C1O[C@@H]([C@@H]1O)O[C@H](CO)[C@H]1O
InChIInChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5-,6+,7-,8+,9-,10-,11-,12-,13+,14+,15?,16+,17-/m0/s1
InChIKNSKGQURZWSPSBC-YCCAQANMSA-N
TotalMolweight454.475
Molweight454.475
MonoisotopicMass454.227496
CLogP-6.9638
CLogS0.012
H Acceptors14
H Donors10
TotalSurfaceArea301.46
Relative PSA0.59603
PolarSurfaceArea262.38
Druglikeness0.52094
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.45161
Fragments1
Non HAtoms31
NonCHAtoms14
Electronegative Atoms14
StereoCenters14
Rotatable Bond6
Rings Closures3
Small Rings3
Sp3Atoms31
Amines4
AlkylAmines4
BasicNitrogens4
StereoConunknown chirality

Request More Details | (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol


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