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DocumentationIdentifier: MM44010
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM44010 |
| SMILES |
C=COCC(C)NCC#N
|
| InChIKey |
KUJUEPGRVAMJKV-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43956
Similarity: 0.8161
Similarity to MM43956
| Tanimoto metric | 0.8161 |
|---|---|
| Cosine metric | 0.9034 |
| Dice metric | 0.8987 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59157
Similarity: 0.7368
Similarity to MM59157
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8497 |
| Dice metric | 0.8485 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM236535
Similarity: 0.7368
Similarity to MM236535
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8497 |
| Dice metric | 0.8485 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+410 more
