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DocumentationIdentifier: MM327460
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM327460 |
| SMILES |
C#CC(CC(O)CN)NC
|
| InChIKey |
ZKEBNBHYGKODQX-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
-1.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM261760
Similarity: 0.7391
Similarity to MM261760
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8511 |
| Dice metric | 0.85 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141781
Similarity: 0.7222
Similarity to MM141781
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8498 |
| Dice metric | 0.8387 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141573
Similarity: 0.6825
Similarity to MM141573
| Tanimoto metric | 0.6825 |
|---|---|
| Cosine metric | 0.8262 |
| Dice metric | 0.8113 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+219 more
