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DocumentationIdentifier: MM381908
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM381908 |
| SMILES |
C#CC(=C)C(C)CC(C)O
|
| InChIKey |
LBUGHQPHAGZJBD-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM387668
Similarity: 0.7087
Similarity to MM387668
| Tanimoto metric | 0.7087 |
|---|---|
| Cosine metric | 0.8418 |
| Dice metric | 0.8295 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM389768
Similarity: 0.6934
Similarity to MM389768
| Tanimoto metric | 0.6934 |
|---|---|
| Cosine metric | 0.8227 |
| Dice metric | 0.819 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM344478
Similarity: 0.685
Similarity to MM344478
| Tanimoto metric | 0.685 |
|---|---|
| Cosine metric | 0.8277 |
| Dice metric | 0.8131 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+403 more
