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DocumentationIdentifier: MM35102
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM35102 |
| SMILES |
C=CC(C)(CC)CC
|
| InChIKey |
PHHHEKOJKDYRIN-UHFFFAOYSA-N
|
| MW [Da] |
112.22
Automatically obtained from RDkit software. |
| LogP |
3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM53046
Similarity: 0.9302
Similarity to MM53046
| Tanimoto metric | 0.9302 |
|---|---|
| Cosine metric | 0.9645 |
| Dice metric | 0.9639 |
| MW: | 126.24 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 3.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53072
Similarity: 0.8
Similarity to MM53072
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 3.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM25688
Similarity: 0.75
Similarity to MM25688
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 98.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+489 more
