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DocumentationIdentifier: MM83081
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM83081 |
| SMILES |
CC#CC(=N)NCCNC
|
| InChIKey |
LQKXVDTWPHNRKZ-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
-0.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157545
Similarity: 0.8864
Similarity to MM157545
| Tanimoto metric | 0.8864 |
|---|---|
| Cosine metric | 0.9415 |
| Dice metric | 0.9398 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358621
Similarity: 0.8041
Similarity to MM358621
| Tanimoto metric | 0.8041 |
|---|---|
| Cosine metric | 0.8914 |
| Dice metric | 0.8914 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM70051
Similarity: 0.7358
Similarity to MM70051
| Tanimoto metric | 0.7358 |
|---|---|
| Cosine metric | 0.8486 |
| Dice metric | 0.8478 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+504 more
