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DocumentationIdentifier: MM298080
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM298080 |
| SMILES |
C=C(C(C)C)C(C)CNC
|
| InChIKey |
TVBBJZJZXLTUMR-UHFFFAOYSA-N
|
| MW [Da] |
141.26
Automatically obtained from RDkit software. |
| LogP |
2.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172347
Similarity: 0.8842
Similarity to MM172347
| Tanimoto metric | 0.8842 |
|---|---|
| Cosine metric | 0.9403 |
| Dice metric | 0.9385 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89059
Similarity: 0.8627
Similarity to MM89059
| Tanimoto metric | 0.8627 |
|---|---|
| Cosine metric | 0.9263 |
| Dice metric | 0.9263 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM88232
Similarity: 0.7843
Similarity to MM88232
| Tanimoto metric | 0.7843 |
|---|---|
| Cosine metric | 0.88 |
| Dice metric | 0.8791 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+691 more
