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DocumentationIdentifier: MM221308
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221308 |
| SMILES |
CC=CC(=N)NC(C)(C)C
|
| InChIKey |
GDJXEMWXZBDLQT-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135835
Similarity: 0.8539
Similarity to MM135835
| Tanimoto metric | 0.8539 |
|---|---|
| Cosine metric | 0.9241 |
| Dice metric | 0.9212 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130204
Similarity: 0.809
Similarity to MM130204
| Tanimoto metric | 0.809 |
|---|---|
| Cosine metric | 0.8994 |
| Dice metric | 0.8944 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237557
Similarity: 0.77
Similarity to MM237557
| Tanimoto metric | 0.77 |
|---|---|
| Cosine metric | 0.8701 |
| Dice metric | 0.8701 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+338 more
