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DocumentationIdentifier: MM223070
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM223070 |
| SMILES |
CC(C)CC(N)CC(C)O
|
| InChIKey |
MENSGGVGWSQGPW-UHFFFAOYSA-N
|
| MW [Da] |
145.25
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM221078
Similarity: 0.8632
Similarity to MM221078
| Tanimoto metric | 0.8632 |
|---|---|
| Cosine metric | 0.9278 |
| Dice metric | 0.9266 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135050
Similarity: 0.7857
Similarity to MM135050
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM221079
Similarity: 0.7624
Similarity to MM221079
| Tanimoto metric | 0.7624 |
|---|---|
| Cosine metric | 0.8665 |
| Dice metric | 0.8652 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+428 more
