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DocumentationIdentifier: MM130722
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM130722 |
| SMILES |
CCC(C)(C)CC(=N)N
|
| InChIKey |
FEOALNHNIAQAOO-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
1.75
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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MM229224
Similarity: 0.8987
Similarity to MM229224
| Tanimoto metric | 0.8987 |
|---|---|
| Cosine metric | 0.948 |
| Dice metric | 0.9467 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM221754
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| Tanimoto metric | 0.7889 |
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| Cosine metric | 0.8882 |
| Dice metric | 0.882 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.14 |
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|---|---|---|---|---|---|
| AI: | 0
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MM222075
Similarity: 0.7802
Similarity to MM222075
| Tanimoto metric | 0.7802 |
|---|---|
| Cosine metric | 0.8833 |
| Dice metric | 0.8765 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+427 more
