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DocumentationIdentifier: MM104132
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM104132 |
| SMILES |
CC(N)CC(N)CO
|
| InChIKey |
SDXZWMAGSBSJOL-UHFFFAOYSA-N
|
| MW [Da] |
118.18
Automatically obtained from RDkit software. |
| LogP |
-0.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141527
Similarity: 0.9298
Similarity to MM141527
| Tanimoto metric | 0.9298 |
|---|---|
| Cosine metric | 0.9643 |
| Dice metric | 0.9636 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112519
Similarity: 0.7544
Similarity to MM112519
| Tanimoto metric | 0.7544 |
|---|---|
| Cosine metric | 0.8616 |
| Dice metric | 0.86 |
| MW: | 119.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75409
Similarity: 0.7358
Similarity to MM75409
| Tanimoto metric | 0.7358 |
|---|---|
| Cosine metric | 0.8578 |
| Dice metric | 0.8478 |
| MW: | 103.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+402 more
