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DocumentationIdentifier: MM159693
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM159693 |
| SMILES |
CC=CC=C(C)CC#N
|
| InChIKey |
KTPXGBATCRVTPF-UHFFFAOYSA-N
|
| MW [Da] |
121.18
Automatically obtained from RDkit software. |
| LogP |
2.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM253717
Similarity: 0.9552
Similarity to MM253717
| Tanimoto metric | 0.9552 |
|---|---|
| Cosine metric | 0.9774 |
| Dice metric | 0.9771 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM285252
Similarity: 0.9552
Similarity to MM285252
| Tanimoto metric | 0.9552 |
|---|---|
| Cosine metric | 0.9774 |
| Dice metric | 0.9771 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM285300
Similarity: 0.8889
Similarity to MM285300
| Tanimoto metric | 0.8889 |
|---|---|
| Cosine metric | 0.9428 |
| Dice metric | 0.9412 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+451 more
