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DocumentationIdentifier: MM76309
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM76309 |
| SMILES |
CC#CC(=N)NC=CCN
|
| InChIKey |
OSMXVBKGDPGFKA-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157606
Similarity: 0.8557
Similarity to MM157606
| Tanimoto metric | 0.8557 |
|---|---|
| Cosine metric | 0.925 |
| Dice metric | 0.9222 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168881
Similarity: 0.8351
Similarity to MM168881
| Tanimoto metric | 0.8351 |
|---|---|
| Cosine metric | 0.9138 |
| Dice metric | 0.9101 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM374310
Similarity: 0.7885
Similarity to MM374310
| Tanimoto metric | 0.7885 |
|---|---|
| Cosine metric | 0.8825 |
| Dice metric | 0.8817 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+241 more
