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DocumentationIdentifier: MM198577
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM198577 |
| SMILES |
NCC(CO)NCCO
|
| InChIKey |
TZIZMCLLUMZSHP-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
-2.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM325952
Similarity: 0.8933
Similarity to MM325952
| Tanimoto metric | 0.8933 |
|---|---|
| Cosine metric | 0.9452 |
| Dice metric | 0.9437 |
| MW: | 148.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM115934
Similarity: 0.8507
Similarity to MM115934
| Tanimoto metric | 0.8507 |
|---|---|
| Cosine metric | 0.9224 |
| Dice metric | 0.9194 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198576
Similarity: 0.8356
Similarity to MM198576
| Tanimoto metric | 0.8356 |
|---|---|
| Cosine metric | 0.9104 |
| Dice metric | 0.9104 |
| MW: | 133.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+372 more
