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DocumentationIdentifier: MM177961
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM177961 |
| SMILES |
O=CN(CCF)CCF
|
| InChIKey |
LNGBKOFKQLBEKG-UHFFFAOYSA-N
|
| MW [Da] |
137.13
Automatically obtained from RDkit software. |
| LogP |
0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM116039
Similarity: 0.9273
Similarity to MM116039
| Tanimoto metric | 0.9273 |
|---|---|
| Cosine metric | 0.963 |
| Dice metric | 0.9623 |
| MW: | 119.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97961
Similarity: 0.7273
Similarity to MM97961
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 105.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108222
Similarity: 0.6761
Similarity to MM108222
| Tanimoto metric | 0.6761 |
|---|---|
| Cosine metric | 0.809 |
| Dice metric | 0.8067 |
| MW: | 119.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+209 more
