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DocumentationIdentifier: MM218273
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM218273 |
| SMILES |
COCC=CCN1CC1
|
| InChIKey |
XHJGXYRANINCBO-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM289676
Similarity: 0.8493
Similarity to MM289676
| Tanimoto metric | 0.8493 |
|---|---|
| Cosine metric | 0.9216 |
| Dice metric | 0.9185 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262792
Similarity: 0.6526
Similarity to MM262792
| Tanimoto metric | 0.6526 |
|---|---|
| Cosine metric | 0.7918 |
| Dice metric | 0.7898 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102212
Similarity: 0.6301
Similarity to MM102212
| Tanimoto metric | 0.6301 |
|---|---|
| Cosine metric | 0.7938 |
| Dice metric | 0.7731 |
| MW: | 97.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+136 more
