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DocumentationIdentifier: MM311249
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM311249 |
| SMILES |
C=CC(C)(C#N)C=CCO
|
| InChIKey |
NYANSOILDVVPEC-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138845
Similarity: 0.7529
Similarity to MM138845
| Tanimoto metric | 0.7529 |
|---|---|
| Cosine metric | 0.8677 |
| Dice metric | 0.8591 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM425552
Similarity: 0.68
Similarity to MM425552
| Tanimoto metric | 0.68 |
|---|---|
| Cosine metric | 0.8096 |
| Dice metric | 0.8095 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM311245
Similarity: 0.6566
Similarity to MM311245
| Tanimoto metric | 0.6566 |
|---|---|
| Cosine metric | 0.7932 |
| Dice metric | 0.7927 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+411 more
