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DocumentationIdentifier: MM461745
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM461745 |
| SMILES |
CC1(C)CC1OC1CC1
|
| InChIKey |
LMIVHOKTWXJIMG-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
1.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM134662
Similarity: 0.9537
Similarity to MM134662
| Tanimoto metric | 0.9537 |
|---|---|
| Cosine metric | 0.9766 |
| Dice metric | 0.9763 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155165
Similarity: 0.9074
Similarity to MM155165
| Tanimoto metric | 0.9074 |
|---|---|
| Cosine metric | 0.9526 |
| Dice metric | 0.9515 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM222993
Similarity: 0.8803
Similarity to MM222993
| Tanimoto metric | 0.8803 |
|---|---|
| Cosine metric | 0.9365 |
| Dice metric | 0.9364 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+107 more
