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DocumentationIdentifier: MM332131
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM332131 |
| SMILES |
CCCC1CC1CCO
|
| InChIKey |
KGFLLFQRLJUVAX-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
1.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM333304
Similarity: 0.9452
Similarity to MM333304
| Tanimoto metric | 0.9452 |
|---|---|
| Cosine metric | 0.9722 |
| Dice metric | 0.9718 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM331903
Similarity: 0.8551
Similarity to MM331903
| Tanimoto metric | 0.8551 |
|---|---|
| Cosine metric | 0.9247 |
| Dice metric | 0.9219 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM216480
Similarity: 0.8356
Similarity to MM216480
| Tanimoto metric | 0.8356 |
|---|---|
| Cosine metric | 0.9109 |
| Dice metric | 0.9104 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+477 more
