Molecular Properties | |
SMILES: | CC1CNCC1CN(CC(=O)N1CCN(C)CC1)C(O)N1CCN(C2CCCCC2N([O])O)CC1 |
MW: | 496.677 |
Fraction sp3: | 0.96 |
HBA: | 9 |
HBD: | 3 |
Rotatable Bonds: | 8 |
TPSA: | 108.9 |
cLogP: | -0.840699999999992 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
gte_4_basic_N
non_ring_acetal
het-C-het not in ring
Oxygen-nitrogen single bond
Methylendiamines (1)
C, N, O, P and S atoms in unusual valence states
Singel acyclic N-O bonds
Filter77_alkyl_NO2
acyclic N-C-N
acyclic NO not nitro
Nitrosone_not_nitro
MAT-CRI-9411f3da-1
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