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DocumentationIdentifier: MM265553
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM265553 |
| SMILES |
C#CC=C(C)OC(C)CN
|
| InChIKey |
JPEUEZIWFJFCHU-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142937
Similarity: 0.8224
Similarity to MM142937
| Tanimoto metric | 0.8224 |
|---|---|
| Cosine metric | 0.9069 |
| Dice metric | 0.9026 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66928
Similarity: 0.7672
Similarity to MM66928
| Tanimoto metric | 0.7672 |
|---|---|
| Cosine metric | 0.8691 |
| Dice metric | 0.8683 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159025
Similarity: 0.7196
Similarity to MM159025
| Tanimoto metric | 0.7196 |
|---|---|
| Cosine metric | 0.8483 |
| Dice metric | 0.837 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+599 more
