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DocumentationIdentifier: MM104330
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM104330 |
| SMILES |
CCN(C)CC(=N)N
|
| InChIKey |
RUBAYGALHDSBLB-UHFFFAOYSA-N
|
| MW [Da] |
115.18
Automatically obtained from RDkit software. |
| LogP |
-0.13
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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MM135246
Similarity: 0.8462
Similarity to MM135246
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 130.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97171
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| Tanimoto metric | 0.7273 |
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| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 101.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM133603
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Similarity to MM133603
| Tanimoto metric | 0.7237 |
|---|---|
| Cosine metric | 0.8507 |
| Dice metric | 0.8397 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+160 more
