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DocumentationIdentifier: MM156137
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM156137 |
| SMILES |
N=C(CCN)NCCN
|
| InChIKey |
ITFBUYGQGLWLAD-UHFFFAOYSA-N
|
| MW [Da] |
130.2
Automatically obtained from RDkit software. |
| LogP |
-1.14
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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MM291796
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| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9103 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | -0.08 |
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Total active interactions
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MM107314
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Similarity to MM107314
| Tanimoto metric | 0.8286 |
|---|---|
| Cosine metric | 0.9103 |
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| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+545 more
