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DocumentationIdentifier: MM291417
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM291417 |
| SMILES |
CCCOCC(C)CC#N
|
| InChIKey |
CXHPEMWDTVVLCF-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
MM155874
Similarity: 0.9412
Similarity to MM155874
| Tanimoto metric | 0.9412 |
|---|---|
| Cosine metric | 0.9701 |
| Dice metric | 0.9697 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69345
Similarity: 0.8101
Similarity to MM69345
| Tanimoto metric | 0.8101 |
|---|---|
| Cosine metric | 0.8962 |
| Dice metric | 0.8951 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291618
Similarity: 0.7711
Similarity to MM291618
| Tanimoto metric | 0.7711 |
|---|---|
| Cosine metric | 0.8732 |
| Dice metric | 0.8707 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+389 more
