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DocumentationIdentifier: MM351492
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM351492 |
| SMILES |
C=CC(C)C(=C)C(C)C#N
|
| InChIKey |
SCXVDKSIOLKOSC-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
2.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173388
Similarity: 0.78
Similarity to MM173388
| Tanimoto metric | 0.78 |
|---|---|
| Cosine metric | 0.8832 |
| Dice metric | 0.8764 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173386
Similarity: 0.77
Similarity to MM173386
| Tanimoto metric | 0.77 |
|---|---|
| Cosine metric | 0.8775 |
| Dice metric | 0.8701 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351494
Similarity: 0.6604
Similarity to MM351494
| Tanimoto metric | 0.6604 |
|---|---|
| Cosine metric | 0.803 |
| Dice metric | 0.7955 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+432 more
