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DocumentationIdentifier: MM328401
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328401 |
| SMILES |
CCC(CC)CC(=O)CO
|
| InChIKey |
HXCFCCMGXQVDRT-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM261833
Similarity: 0.7978
Similarity to MM261833
| Tanimoto metric | 0.7978 |
|---|---|
| Cosine metric | 0.8881 |
| Dice metric | 0.8875 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261832
Similarity: 0.7978
Similarity to MM261832
| Tanimoto metric | 0.7978 |
|---|---|
| Cosine metric | 0.8881 |
| Dice metric | 0.8875 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244885
Similarity: 0.7717
Similarity to MM244885
| Tanimoto metric | 0.7717 |
|---|---|
| Cosine metric | 0.8725 |
| Dice metric | 0.8712 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+418 more
