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DocumentationIdentifier: MM293831
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM293831 |
| SMILES |
C=C(CCN)C(=C)CNC
|
| InChIKey |
CLWFBIZTYZDTSI-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173595
Similarity: 0.86
Similarity to MM173595
| Tanimoto metric | 0.86 |
|---|---|
| Cosine metric | 0.9274 |
| Dice metric | 0.9247 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87463
Similarity: 0.8491
Similarity to MM87463
| Tanimoto metric | 0.8491 |
|---|---|
| Cosine metric | 0.9186 |
| Dice metric | 0.9184 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM299005
Similarity: 0.7705
Similarity to MM299005
| Tanimoto metric | 0.7705 |
|---|---|
| Cosine metric | 0.8728 |
| Dice metric | 0.8704 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+459 more
