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DocumentationIdentifier: MM292017
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292017 |
| SMILES |
C#CCCNC(=N)CNC
|
| InChIKey |
CMOIRWSMGOVPSD-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
-0.2
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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MM166787
Similarity: 0.8506
Similarity to MM166787
| Tanimoto metric | 0.8506 |
|---|---|
| Cosine metric | 0.9223 |
| Dice metric | 0.9193 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9097 |
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| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM355726
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Similarity to MM355726
| Tanimoto metric | 0.7912 |
|---|---|
| Cosine metric | 0.8855 |
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| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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