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DocumentationIdentifier: MM97853
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM97853 |
| SMILES |
NCCC(N)CO
|
| InChIKey |
LGUSYNSKJNOQKY-UHFFFAOYSA-N
|
| MW [Da] |
104.15
Automatically obtained from RDkit software. |
| LogP |
-1.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM75934
Similarity: 0.7436
Similarity to MM75934
| Tanimoto metric | 0.7436 |
|---|---|
| Cosine metric | 0.8623 |
| Dice metric | 0.8529 |
| MW: | 89.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM104132
Similarity: 0.7358
Similarity to MM104132
| Tanimoto metric | 0.7358 |
|---|---|
| Cosine metric | 0.8578 |
| Dice metric | 0.8478 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112545
Similarity: 0.7222
Similarity to MM112545
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8498 |
| Dice metric | 0.8387 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+368 more
