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DocumentationIdentifier: MM138887
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM138887 |
| SMILES |
C=CC(C)(C)C=CC=O
|
| InChIKey |
NLGYQSSOYAAUGS-UHFFFAOYSA-N
|
| MW [Da] |
124.18
Automatically obtained from RDkit software. |
| LogP |
1.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM311319
Similarity: 0.9016
Similarity to MM311319
| Tanimoto metric | 0.9016 |
|---|---|
| Cosine metric | 0.9495 |
| Dice metric | 0.9483 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM36952
Similarity: 0.7818
Similarity to MM36952
| Tanimoto metric | 0.7818 |
|---|---|
| Cosine metric | 0.8842 |
| Dice metric | 0.8776 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM55277
Similarity: 0.7288
Similarity to MM55277
| Tanimoto metric | 0.7288 |
|---|---|
| Cosine metric | 0.8457 |
| Dice metric | 0.8431 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+532 more
