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DocumentationIdentifier: MM319975
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM319975 |
| SMILES |
C=C(C)C(O)C=CCCO
|
| InChIKey |
NOTCGCWIJFOFNP-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.86
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM350623
Similarity: 0.8351
Similarity to MM350623
| Tanimoto metric | 0.8351 |
|---|---|
| Cosine metric | 0.9103 |
| Dice metric | 0.9101 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM356862
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| Tanimoto metric | 0.798 |
|---|---|
| Cosine metric | 0.8879 |
| Dice metric | 0.8876 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM343503
Similarity: 0.7383
Similarity to MM343503
| Tanimoto metric | 0.7383 |
|---|---|
| Cosine metric | 0.8497 |
| Dice metric | 0.8495 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+412 more
