Properties
HBA: | 10 | RingCount: | 2 |
HBD: | 4 | FractionCSP3: | 0.6 |
AlogP: | -0.85 | Num_rotatable_bonds: | 5 |
MolWt: | 353.29 | Num_heavy_atoms: | 22 |
TPSA: | 146.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1HBA: | 4 | RingCount: | 1 |
HBD: | 3 | FractionCSP3: | 0.0 |
AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
MolWt: | 111.1 | Num_heavy_atoms: | 8 |
TPSA: | 71.77 | NumAromaticRings: | 1 |
AD00655
Formula: CH5O3PS
Smiles:
COP(=O)(O)SHBA: | 3 | RingCount: | 0 |
HBD: | 1 | FractionCSP3: | 1.0 |
AlogP: | 0.66 | Num_rotatable_bonds: | 1 |
MolWt: | 128.09 | Num_heavy_atoms: | 6 |
TPSA: | 46.53 | NumAromaticRings: | 0 |