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DocumentationIdentifier: MM47398
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47398 |
| SMILES |
C#CC(N)CC(C)(O)C#C
|
| InChIKey |
PPOGZVUYGRESDH-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
-0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM81628
Similarity: 0.808
Similarity to MM81628
| Tanimoto metric | 0.808 |
|---|---|
| Cosine metric | 0.8989 |
| Dice metric | 0.8938 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM48111
Similarity: 0.728
Similarity to MM48111
| Tanimoto metric | 0.728 |
|---|---|
| Cosine metric | 0.8532 |
| Dice metric | 0.8426 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80614
Similarity: 0.7214
Similarity to MM80614
| Tanimoto metric | 0.7214 |
|---|---|
| Cosine metric | 0.8388 |
| Dice metric | 0.8382 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+466 more
