Properties
HBA: | 11 | RingCount: | 2 |
HBD: | 4 | FractionCSP3: | 0.64 |
AlogP: | -1.77 | Num_rotatable_bonds: | 5 |
MolWt: | 352.24 | Num_heavy_atoms: | 23 |
TPSA: | 160.31 | NumAromaticRings: | 1 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)OHBA: | 4 | RingCount: | 0 |
HBD: | 2 | FractionCSP3: | 1.0 |
AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
MolWt: | 112.02 | Num_heavy_atoms: | 6 |
TPSA: | 66.76 | NumAromaticRings: | 0 |
AD00276
Formula: C5H6O2N2
Smiles:
Cc1c[nH]c(=O)[nH]c1=OHBA: | 4 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.2 |
AlogP: | -0.63 | Num_rotatable_bonds: | 0 |
MolWt: | 126.11 | Num_heavy_atoms: | 9 |
TPSA: | 65.72 | NumAromaticRings: | 1 |