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DocumentationIdentifier: MM55915
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM55915 |
| SMILES |
C#CC(N)C(C)OCC
|
| InChIKey |
POAFEUDVTGWGBZ-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM55937
Similarity: 0.8644
Similarity to MM55937
| Tanimoto metric | 0.8644 |
|---|---|
| Cosine metric | 0.9297 |
| Dice metric | 0.9273 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111642
Similarity: 0.7843
Similarity to MM111642
| Tanimoto metric | 0.7843 |
|---|---|
| Cosine metric | 0.8856 |
| Dice metric | 0.8791 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54891
Similarity: 0.6892
Similarity to MM54891
| Tanimoto metric | 0.6892 |
|---|---|
| Cosine metric | 0.8302 |
| Dice metric | 0.816 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+430 more
