이름: simvastatin butylamide
SMILES:
CCC(C)(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]21.CCCC[NH-]Molecular Processing
Molecular formula
C29H48NO5-
Molecular weight
490.71
Exact mass
490.3538
XLogP
6.42
TPSA
96.63
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
35
Rings
3
Aromatic rings
0
Saturated rings
1
Aliphatic rings
3
Stereo centers
7
Undefined stereo
0
Formal charge
-1
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.793
Molar refractivity
139.55
Supplementary Information
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