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(2S,3S,4R,5S)-2-[6-amino-8-[(2Z)-2-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Formula:C24H24N8O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2S,3S,4R,5S)-2-[6-amino-8-[(2Z)-2-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol is not a drug-like molecule.
MolName(2S,3S,4R,5S)-2-[6-amino-8-[(2Z)-2-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
MolecularFormulaC24H24N8O7
SmilesNc1ncnc2c1nc(N/N=C\c(cccc1)c1OCc(cc1)ccc1[N+]([O-])=O)n2[C@H]([C@H]1O)O[C@@H](CO)[C@@H]1O
InChIInChI=1S/C24H24N8O7/c25-21-18-22(27-12-26-21)31(23-20(35)19(34)17(10-33)39-23)24(29-18)30-28-9-14-3-1-2-4-16(14)38-11-13-5-7-15(8-6-13)32(36)37/h1-9,12,17,19-20,23,33-35H,10-11H2,(H,29,30)(H2,25,26,27)/t17-,19-,20+,23+/m1/s1
InChIKKPWUCVZKBLNBIL-DBBLALLESA-N
TotalMolweight536.504
Molweight536.504
MonoisotopicMass536.176797
CLogP2.0673
CLogS-5.93
H Acceptors15
H Donors5
TotalSurfaceArea384.34
Relative PSA0.43644
PolarSurfaceArea218.98
Druglikeness-3.7194
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; imine/hydrazone of aldehyde
Shape Index0.51282
Fragments1
Non HAtoms39
NonCHAtoms15
Electronegative Atoms15
StereoCenters4
Rotatable Bond9
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms21
Sp3Atoms12
Symmetricatoms2
Aromatic Nitrogens4
BasicNitrogens1
AcidicOxygens1
StereoConthis enantiomer

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