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DocumentationIdentifier: MM291396
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM291396 |
| SMILES |
CCOCCC(C)CC#N
|
| InChIKey |
IPGDLXFBISISON-UHFFFAOYSA-N
|
| MW [Da] |
141.21
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
MM155863
Similarity: 0.8592
Similarity to MM155863
| Tanimoto metric | 0.8592 |
|---|---|
| Cosine metric | 0.9269 |
| Dice metric | 0.9242 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165518
Similarity: 0.7183
Similarity to MM165518
| Tanimoto metric | 0.7183 |
|---|---|
| Cosine metric | 0.8475 |
| Dice metric | 0.8361 |
| MW: | 130.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291516
Similarity: 0.7176
Similarity to MM291516
| Tanimoto metric | 0.7176 |
|---|---|
| Cosine metric | 0.8359 |
| Dice metric | 0.8356 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+490 more
