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DocumentationIdentifier: MM132354
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM132354 |
| SMILES |
CC(C)(CC=O)CCF
|
| InChIKey |
WODDGAHRLPCLKV-UHFFFAOYSA-N
|
| MW [Da] |
132.18
Automatically obtained from RDkit software. |
| LogP |
1.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM242998
Similarity: 0.8806
Similarity to MM242998
| Tanimoto metric | 0.8806 |
|---|---|
| Cosine metric | 0.9384 |
| Dice metric | 0.9365 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33818
Similarity: 0.7797
Similarity to MM33818
| Tanimoto metric | 0.7797 |
|---|---|
| Cosine metric | 0.883 |
| Dice metric | 0.8762 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM221706
Similarity: 0.7662
Similarity to MM221706
| Tanimoto metric | 0.7662 |
|---|---|
| Cosine metric | 0.8753 |
| Dice metric | 0.8676 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+350 more
