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DocumentationIdentifier: MM382185
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM382185 |
| SMILES |
COC=C(C#N)CCC#N
|
| InChIKey |
IBQSMJVCKBDAJH-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
1.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM386122
Similarity: 0.7477
Similarity to MM386122
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8557 |
| Dice metric | 0.8557 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158826
Similarity: 0.7396
Similarity to MM158826
| Tanimoto metric | 0.7396 |
|---|---|
| Cosine metric | 0.86 |
| Dice metric | 0.8503 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386046
Similarity: 0.7217
Similarity to MM386046
| Tanimoto metric | 0.7217 |
|---|---|
| Cosine metric | 0.8388 |
| Dice metric | 0.8384 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+180 more
