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DocumentationIdentifier: MM45593
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM45593 |
| SMILES |
C=CC1CN1C
|
| InChIKey |
KVJMBWQMROYTNP-UHFFFAOYSA-N
|
| MW [Da] |
83.13
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM101164
Similarity: 0.7361
Similarity to MM101164
| Tanimoto metric | 0.7361 |
|---|---|
| Cosine metric | 0.858 |
| Dice metric | 0.848 |
| MW: | 97.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM100491
Similarity: 0.7162
Similarity to MM100491
| Tanimoto metric | 0.7162 |
|---|---|
| Cosine metric | 0.8463 |
| Dice metric | 0.8346 |
| MW: | 97.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM100492
Similarity: 0.6709
Similarity to MM100492
| Tanimoto metric | 0.6709 |
|---|---|
| Cosine metric | 0.8191 |
| Dice metric | 0.803 |
| MW: | 101.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+199 more
