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DocumentationIdentifier: MM153982
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM153982 |
| SMILES |
CC#CC#CCC(=N)N
|
| InChIKey |
NFXUSEWVEMNAHD-UHFFFAOYSA-N
|
| MW [Da] |
120.16
Automatically obtained from RDkit software. |
| LogP |
0.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM289126
Similarity: 0.9692
Similarity to MM289126
| Tanimoto metric | 0.9692 |
|---|---|
| Cosine metric | 0.9845 |
| Dice metric | 0.9844 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289149
Similarity: 0.913
Similarity to MM289149
| Tanimoto metric | 0.913 |
|---|---|
| Cosine metric | 0.9555 |
| Dice metric | 0.9545 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106196
Similarity: 0.873
Similarity to MM106196
| Tanimoto metric | 0.873 |
|---|---|
| Cosine metric | 0.9344 |
| Dice metric | 0.9322 |
| MW: | 106.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+136 more
