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DocumentationIdentifier: MM212999
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM212999 |
| SMILES |
N=CNCCOCCO
|
| InChIKey |
SIQIUTDWGNROBA-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
-0.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM212997
Similarity: 0.7667
Similarity to MM212997
| Tanimoto metric | 0.7667 |
|---|---|
| Cosine metric | 0.8693 |
| Dice metric | 0.8679 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363788
Similarity: 0.7568
Similarity to MM363788
| Tanimoto metric | 0.7568 |
|---|---|
| Cosine metric | 0.8699 |
| Dice metric | 0.8615 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM213123
Similarity: 0.6812
Similarity to MM213123
| Tanimoto metric | 0.6812 |
|---|---|
| Cosine metric | 0.8108 |
| Dice metric | 0.8103 |
| MW: | 127.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+151 more
