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DocumentationIdentifier: MM322619
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM322619 |
| SMILES |
C=C(C=CC(C)=CC)CN
|
| InChIKey |
JRVRCTUYMSEICE-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
2.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM344409
Similarity: 0.8889
Similarity to MM344409
| Tanimoto metric | 0.8889 |
|---|---|
| Cosine metric | 0.9418 |
| Dice metric | 0.9412 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79209
Similarity: 0.759
Similarity to MM79209
| Tanimoto metric | 0.759 |
|---|---|
| Cosine metric | 0.8696 |
| Dice metric | 0.863 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM145761
Similarity: 0.7561
Similarity to MM145761
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8695 |
| Dice metric | 0.8611 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+269 more
