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DocumentationIdentifier: MM353330
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM353330 |
| SMILES |
CC1C(CCC=O)N1C
|
| InChIKey |
MTCYOHPHIMCFAK-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM353693
Similarity: 0.8618
Similarity to MM353693
| Tanimoto metric | 0.8618 |
|---|---|
| Cosine metric | 0.9284 |
| Dice metric | 0.9258 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM343361
Similarity: 0.7486
Similarity to MM343361
| Tanimoto metric | 0.7486 |
|---|---|
| Cosine metric | 0.8652 |
| Dice metric | 0.8562 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM373200
Similarity: 0.7443
Similarity to MM373200
| Tanimoto metric | 0.7443 |
|---|---|
| Cosine metric | 0.8627 |
| Dice metric | 0.8534 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+100 more
