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DocumentationIdentifier: MM320618
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM320618 |
| SMILES |
CC=C(C=CCCO)OC
|
| InChIKey |
LRKUMBINNFTUHW-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200941
Similarity: 0.8495
Similarity to MM200941
| Tanimoto metric | 0.8495 |
|---|---|
| Cosine metric | 0.9217 |
| Dice metric | 0.9186 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM429170
Similarity: 0.7864
Similarity to MM429170
| Tanimoto metric | 0.7864 |
|---|---|
| Cosine metric | 0.8805 |
| Dice metric | 0.8804 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM319660
Similarity: 0.7419
Similarity to MM319660
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8519 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+354 more
