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DocumentationIdentifier: MM308648
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM308648 |
| SMILES |
C=CCCC(F)(C#N)CC
|
| InChIKey |
YYDPIVNUUHNKJT-UHFFFAOYSA-N
|
| MW [Da] |
141.19
Automatically obtained from RDkit software. |
| LogP |
2.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138410
Similarity: 0.7748
Similarity to MM138410
| Tanimoto metric | 0.7748 |
|---|---|
| Cosine metric | 0.8802 |
| Dice metric | 0.8731 |
| MW: | 127.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240106
Similarity: 0.6905
Similarity to MM240106
| Tanimoto metric | 0.6905 |
|---|---|
| Cosine metric | 0.8176 |
| Dice metric | 0.8169 |
| MW: | 145.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM240104
Similarity: 0.6825
Similarity to MM240104
| Tanimoto metric | 0.6825 |
|---|---|
| Cosine metric | 0.8122 |
| Dice metric | 0.8113 |
| MW: | 141.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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