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DocumentationIdentifier: MM133518
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM133518 |
| SMILES |
CC(N)C(N)CN(C)C
|
| InChIKey |
VDXICYLAIQPKGH-UHFFFAOYSA-N
|
| MW [Da] |
131.22
Automatically obtained from RDkit software. |
| LogP |
-0.78
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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MM268331
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| Tanimoto metric | 0.8621 |
|---|---|
| Cosine metric | 0.9285 |
| Dice metric | 0.9259 |
| MW: | 146.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268330
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| Tanimoto metric | 0.7895 |
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| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM108069
Similarity: 0.7333
Similarity to MM108069
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 117.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+369 more
