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DocumentationIdentifier: MM88451
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM88451 |
| SMILES |
CCCNCCC(C)=CF
|
| InChIKey |
RTTNRABOTFERFM-UHFFFAOYSA-N
|
| MW [Da] |
145.22
Automatically obtained from RDkit software. |
| LogP |
2.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM87142
Similarity: 0.9467
Similarity to MM87142
| Tanimoto metric | 0.9467 |
|---|---|
| Cosine metric | 0.973 |
| Dice metric | 0.9726 |
| MW: | 131.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM371482
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| Tanimoto metric | 0.8795 |
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| Cosine metric | 0.9366 |
| Dice metric | 0.9359 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.03 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM258749
Similarity: 0.8353
Similarity to MM258749
| Tanimoto metric | 0.8353 |
|---|---|
| Cosine metric | 0.9109 |
| Dice metric | 0.9103 |
| MW: | 145.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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