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DocumentationIdentifier: MM225945
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225945 |
| SMILES |
CCC(O)CC(C)(N)CC
|
| InChIKey |
PHNOPLLMCCDRBF-UHFFFAOYSA-N
|
| MW [Da] |
145.25
Automatically obtained from RDkit software. |
| LogP |
1.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM221648
Similarity: 0.8051
Similarity to MM221648
| Tanimoto metric | 0.8051 |
|---|---|
| Cosine metric | 0.8928 |
| Dice metric | 0.892 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130587
Similarity: 0.8018
Similarity to MM130587
| Tanimoto metric | 0.8018 |
|---|---|
| Cosine metric | 0.8954 |
| Dice metric | 0.89 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228924
Similarity: 0.7479
Similarity to MM228924
| Tanimoto metric | 0.7479 |
|---|---|
| Cosine metric | 0.8577 |
| Dice metric | 0.8558 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+391 more
