이름: lovastatin butylamide
SMILES:
CCCC[NH-].CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21Molecular Processing
Molecular formula
C28H46NO5-
Molecular weight
476.68
Exact mass
476.3381
XLogP
6.03
TPSA
96.63
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
34
Rings
3
Aromatic rings
0
Saturated rings
1
Aliphatic rings
3
Stereo centers
8
Undefined stereo
0
Formal charge
-1
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.786
Molar refractivity
134.93
Supplementary Information
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