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DocumentationIdentifier: MM434718
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM434718 |
| SMILES |
CCCC1NC1C(C)C#N
|
| InChIKey |
HHVRGEHXHSCVCX-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM210693
Similarity: 0.8782
Similarity to MM210693
| Tanimoto metric | 0.8782 |
|---|---|
| Cosine metric | 0.9371 |
| Dice metric | 0.9352 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM435132
Similarity: 0.8563
Similarity to MM435132
| Tanimoto metric | 0.8563 |
|---|---|
| Cosine metric | 0.9237 |
| Dice metric | 0.9226 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM425330
Similarity: 0.8352
Similarity to MM425330
| Tanimoto metric | 0.8352 |
|---|---|
| Cosine metric | 0.9122 |
| Dice metric | 0.9102 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+211 more
