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DocumentationIdentifier: MM44861
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM44861 |
| SMILES |
CN(CC#N)CC(C)(C)O
|
| InChIKey |
AOZOMIKXTOKSJU-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM266873
Similarity: 0.7767
Similarity to MM266873
| Tanimoto metric | 0.7767 |
|---|---|
| Cosine metric | 0.8813 |
| Dice metric | 0.8743 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130034
Similarity: 0.7573
Similarity to MM130034
| Tanimoto metric | 0.7573 |
|---|---|
| Cosine metric | 0.8702 |
| Dice metric | 0.8619 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44863
Similarity: 0.7207
Similarity to MM44863
| Tanimoto metric | 0.7207 |
|---|---|
| Cosine metric | 0.8403 |
| Dice metric | 0.8377 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+338 more
