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DocumentationIdentifier: MM80053
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM80053 |
| SMILES |
CC(C)NC(=N)C#CCN
|
| InChIKey |
JBYTWORMZDHMNL-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
-0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158488
Similarity: 0.8202
Similarity to MM158488
| Tanimoto metric | 0.8202 |
|---|---|
| Cosine metric | 0.9057 |
| Dice metric | 0.9012 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90767
Similarity: 0.7766
Similarity to MM90767
| Tanimoto metric | 0.7766 |
|---|---|
| Cosine metric | 0.8762 |
| Dice metric | 0.8743 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73559
Similarity: 0.7156
Similarity to MM73559
| Tanimoto metric | 0.7156 |
|---|---|
| Cosine metric | 0.8352 |
| Dice metric | 0.8342 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+386 more
