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DocumentationIdentifier: MM221910
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221910 |
| SMILES |
CC(C)(C=CF)CC(=N)N
|
| InChIKey |
ZWPPFVUDQFHGLB-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
1.82
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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MM135739
Similarity: 0.7963
Similarity to MM135739
| Tanimoto metric | 0.7963 |
|---|---|
| Cosine metric | 0.8924 |
| Dice metric | 0.8866 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM130811
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| Cosine metric | 0.8607 |
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| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
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| AI: | 0
Total active interactions
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MM272801
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Similarity to MM272801
| Tanimoto metric | 0.6992 |
|---|---|
| Cosine metric | 0.8234 |
| Dice metric | 0.823 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+373 more
