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DocumentationIdentifier: MM381490
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM381490 |
| SMILES |
C#CCC(=NC)N(C)C=C
|
| InChIKey |
YXVOTDLBMWRWSK-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173509
Similarity: 0.7239
Similarity to MM173509
| Tanimoto metric | 0.7239 |
|---|---|
| Cosine metric | 0.8508 |
| Dice metric | 0.8398 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM381348
Similarity: 0.6541
Similarity to MM381348
| Tanimoto metric | 0.6541 |
|---|---|
| Cosine metric | 0.791 |
| Dice metric | 0.7909 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM381162
Similarity: 0.642
Similarity to MM381162
| Tanimoto metric | 0.642 |
|---|---|
| Cosine metric | 0.782 |
| Dice metric | 0.782 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+182 more
