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DocumentationIdentifier: MM302092
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM302092 |
| SMILES |
CC(N)C(=N)NCCCO
|
| InChIKey |
CGMSTXJJEILTBJ-UHFFFAOYSA-N
|
| MW [Da] |
145.21
Automatically obtained from RDkit software. |
| LogP |
-0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM254917
Similarity: 0.7227
Similarity to MM254917
| Tanimoto metric | 0.7227 |
|---|---|
| Cosine metric | 0.8393 |
| Dice metric | 0.839 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166444
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| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM302528
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Similarity to MM302528
| Tanimoto metric | 0.7049 |
|---|---|
| Cosine metric | 0.827 |
| Dice metric | 0.8269 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+539 more
