Properties
HBA: | 11 | RingCount: | 2 |
HBD: | 5 | FractionCSP3: | 0.78 |
AlogP: | -2.52 | Num_rotatable_bonds: | 4 |
MolWt: | 326.2 | Num_heavy_atoms: | 21 |
TPSA: | 165.86 | NumAromaticRings: | 0 |
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 |
AD01822
Formula: C4H6O2N2
Smiles:
O=C1CCNC(=O)N1HBA: | 4 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.5 |
AlogP: | -0.78 | Num_rotatable_bonds: | 0 |
MolWt: | 114.1 | Num_heavy_atoms: | 8 |
TPSA: | 58.2 | NumAromaticRings: | 0 |