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DocumentationIdentifier: MM396107
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM396107 |
| SMILES |
CCC(C#CCO)N(C)C
|
| InChIKey |
LDEWXKCEBOMNOW-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM431571
Similarity: 0.6992
Similarity to MM431571
| Tanimoto metric | 0.6992 |
|---|---|
| Cosine metric | 0.8232 |
| Dice metric | 0.823 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM396105
Similarity: 0.6748
Similarity to MM396105
| Tanimoto metric | 0.6748 |
|---|---|
| Cosine metric | 0.8064 |
| Dice metric | 0.8058 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26293
Similarity: 0.6746
Similarity to MM26293
| Tanimoto metric | 0.6746 |
|---|---|
| Cosine metric | 0.8058 |
| Dice metric | 0.8057 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+623 more
