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DocumentationIdentifier: MM377243
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM377243 |
| SMILES |
C#CCC(C#C)N(C)C=N
|
| InChIKey |
XKSSDOAAOPMOST-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178112
Similarity: 0.7009
Similarity to MM178112
| Tanimoto metric | 0.7009 |
|---|---|
| Cosine metric | 0.8372 |
| Dice metric | 0.8241 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM412220
Similarity: 0.6738
Similarity to MM412220
| Tanimoto metric | 0.6738 |
|---|---|
| Cosine metric | 0.8051 |
| Dice metric | 0.8051 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377187
Similarity: 0.662
Similarity to MM377187
| Tanimoto metric | 0.662 |
|---|---|
| Cosine metric | 0.7966 |
| Dice metric | 0.7966 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+185 more
