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DocumentationIdentifier: MM207269
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM207269 |
| SMILES |
N#CC(CO)NCCO
|
| InChIKey |
GNQJXQCRPULJHX-UHFFFAOYSA-N
|
| MW [Da] |
130.15
Automatically obtained from RDkit software. |
| LogP |
-1.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM206200
Similarity: 0.9079
Similarity to MM206200
| Tanimoto metric | 0.9079 |
|---|---|
| Cosine metric | 0.9528 |
| Dice metric | 0.9517 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM48830
Similarity: 0.8841
Similarity to MM48830
| Tanimoto metric | 0.8841 |
|---|---|
| Cosine metric | 0.9402 |
| Dice metric | 0.9385 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM208026
Similarity: 0.8533
Similarity to MM208026
| Tanimoto metric | 0.8533 |
|---|---|
| Cosine metric | 0.9209 |
| Dice metric | 0.9209 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+342 more
