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DocumentationIdentifier: MM24202
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM24202 |
| SMILES |
CN(C=O)C(C)(C)C=O
|
| InChIKey |
BDQAWIICVDWAKK-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM28577
Similarity: 0.6951
Similarity to MM28577
| Tanimoto metric | 0.6951 |
|---|---|
| Cosine metric | 0.8337 |
| Dice metric | 0.8201 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42385
Similarity: 0.6
Similarity to MM42385
| Tanimoto metric | 0.6 |
|---|---|
| Cosine metric | 0.7523 |
| Dice metric | 0.75 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102590
Similarity: 0.5976
Similarity to MM102590
| Tanimoto metric | 0.5976 |
|---|---|
| Cosine metric | 0.773 |
| Dice metric | 0.7481 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+147 more
