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DocumentationIdentifier: MM106032
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM106032 |
| SMILES |
N=C(N)CC=CCO
|
| InChIKey |
OMBAAPRNEBSKOL-UHFFFAOYSA-N
|
| MW [Da] |
114.15
Automatically obtained from RDkit software. |
| LogP |
-0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM288580
Similarity: 0.686
Similarity to MM288580
| Tanimoto metric | 0.686 |
|---|---|
| Cosine metric | 0.8283 |
| Dice metric | 0.8138 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163196
Similarity: 0.6629
Similarity to MM163196
| Tanimoto metric | 0.6629 |
|---|---|
| Cosine metric | 0.8142 |
| Dice metric | 0.7973 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106030
Similarity: 0.6418
Similarity to MM106030
| Tanimoto metric | 0.6418 |
|---|---|
| Cosine metric | 0.7839 |
| Dice metric | 0.7818 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+271 more
