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DocumentationIdentifier: MM364273
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM364273 |
| SMILES |
C#CC(C)CCCCC#N
|
| InChIKey |
VXOAJTKRHYVSIF-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
2.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM166274
Similarity: 0.8033
Similarity to MM166274
| Tanimoto metric | 0.8033 |
|---|---|
| Cosine metric | 0.8915 |
| Dice metric | 0.8909 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364116
Similarity: 0.7692
Similarity to MM364116
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8696 |
| Dice metric | 0.8696 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166216
Similarity: 0.7544
Similarity to MM166216
| Tanimoto metric | 0.7544 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.86 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+613 more
