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DocumentationIdentifier: MM231976
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231976 |
| SMILES |
CCC(OC=O)C(C)(C)N
|
| InChIKey |
HMIFPARNLJOHPD-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM74652
Similarity: 0.771
Similarity to MM74652
| Tanimoto metric | 0.771 |
|---|---|
| Cosine metric | 0.8781 |
| Dice metric | 0.8707 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM68825
Similarity: 0.7176
Similarity to MM68825
| Tanimoto metric | 0.7176 |
|---|---|
| Cosine metric | 0.8471 |
| Dice metric | 0.8356 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM241919
Similarity: 0.6627
Similarity to MM241919
| Tanimoto metric | 0.6627 |
|---|---|
| Cosine metric | 0.7981 |
| Dice metric | 0.7971 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+109 more
