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DocumentationIdentifier: MM181001
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM181001 |
| SMILES |
CCC(C(=N)N)C(C)F
|
| InChIKey |
SDUABPQHQWCRRD-UHFFFAOYSA-N
|
| MW [Da] |
132.18
Automatically obtained from RDkit software. |
| LogP |
1.31
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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MM306754
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| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.871 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.766 |
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| Cosine metric | 0.8752 |
| Dice metric | 0.8675 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
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|---|---|---|---|---|---|
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Total active interactions
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MM388408
Similarity: 0.7448
Similarity to MM388408
| Tanimoto metric | 0.7448 |
|---|---|
| Cosine metric | 0.863 |
| Dice metric | 0.8538 |
| MW: | 147.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+296 more
