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DocumentationIdentifier: MM310593
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM310593 |
| SMILES |
CCC(C)(C=COC)CC
|
| InChIKey |
ORBFVPWLNBCXTC-UHFFFAOYSA-N
|
| MW [Da] |
142.24
Automatically obtained from RDkit software. |
| LogP |
2.97
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138744
Similarity: 0.8472
Similarity to MM138744
| Tanimoto metric | 0.8472 |
|---|---|
| Cosine metric | 0.9204 |
| Dice metric | 0.9173 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM241012
Similarity: 0.775
Similarity to MM241012
| Tanimoto metric | 0.775 |
|---|---|
| Cosine metric | 0.8733 |
| Dice metric | 0.8732 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200509
Similarity: 0.7639
Similarity to MM200509
| Tanimoto metric | 0.7639 |
|---|---|
| Cosine metric | 0.874 |
| Dice metric | 0.8661 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+383 more
