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DocumentationIdentifier: MM180240
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM180240 |
| SMILES |
CC#CC(CC)C(C)C
|
| InChIKey |
IZSSKVXMWPVHHA-UHFFFAOYSA-N
|
| MW [Da] |
124.23
Automatically obtained from RDkit software. |
| LogP |
2.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174537
Similarity: 0.8125
Similarity to MM174537
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.8971 |
| Dice metric | 0.8966 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357308
Similarity: 0.7761
Similarity to MM357308
| Tanimoto metric | 0.7761 |
|---|---|
| Cosine metric | 0.8755 |
| Dice metric | 0.8739 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM396045
Similarity: 0.7671
Similarity to MM396045
| Tanimoto metric | 0.7671 |
|---|---|
| Cosine metric | 0.8759 |
| Dice metric | 0.8682 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+712 more
