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DocumentationIdentifier: MM108152
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM108152 |
| SMILES |
CC(=O)C(C)CCO
|
| InChIKey |
YJCMJVMCCJIPRV-UHFFFAOYSA-N
|
| MW [Da] |
116.16
Automatically obtained from RDkit software. |
| LogP |
0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172321
Similarity: 0.7733
Similarity to MM172321
| Tanimoto metric | 0.7733 |
|---|---|
| Cosine metric | 0.8794 |
| Dice metric | 0.8722 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172323
Similarity: 0.7632
Similarity to MM172323
| Tanimoto metric | 0.7632 |
|---|---|
| Cosine metric | 0.8736 |
| Dice metric | 0.8657 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162150
Similarity: 0.7632
Similarity to MM162150
| Tanimoto metric | 0.7632 |
|---|---|
| Cosine metric | 0.8736 |
| Dice metric | 0.8657 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+620 more
