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DocumentationIdentifier: MM409741
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM409741 |
| SMILES |
C#CC(C#C)CC#CCC
|
| InChIKey |
RYMFWKHXKMGPOD-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
1.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199730
Similarity: 0.8889
Similarity to MM199730
| Tanimoto metric | 0.8889 |
|---|---|
| Cosine metric | 0.9428 |
| Dice metric | 0.9412 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375961
Similarity: 0.8571
Similarity to MM375961
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9238 |
| Dice metric | 0.9231 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM169181
Similarity: 0.8519
Similarity to MM169181
| Tanimoto metric | 0.8519 |
|---|---|
| Cosine metric | 0.923 |
| Dice metric | 0.92 |
| MW: | 120.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+236 more
