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DocumentationIdentifier: MM81628
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM81628 |
| SMILES |
C#CC(C)(O)CC(C)N
|
| InChIKey |
QXHSPSYSZKUINE-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM80614
Similarity: 0.8707
Similarity to MM80614
| Tanimoto metric | 0.8707 |
|---|---|
| Cosine metric | 0.9331 |
| Dice metric | 0.9309 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47398
Similarity: 0.808
Similarity to MM47398
| Tanimoto metric | 0.808 |
|---|---|
| Cosine metric | 0.8989 |
| Dice metric | 0.8938 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226550
Similarity: 0.7953
Similarity to MM226550
| Tanimoto metric | 0.7953 |
|---|---|
| Cosine metric | 0.8918 |
| Dice metric | 0.886 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+649 more
