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DocumentationIdentifier: MM459475
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM459475 |
| SMILES |
C#CCC#CCNC1CC1
|
| InChIKey |
HQBIRWJMYBCQFS-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
0.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM218216
Similarity: 0.8961
Similarity to MM218216
| Tanimoto metric | 0.8961 |
|---|---|
| Cosine metric | 0.9466 |
| Dice metric | 0.9452 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM459439
Similarity: 0.8537
Similarity to MM459439
| Tanimoto metric | 0.8537 |
|---|---|
| Cosine metric | 0.9211 |
| Dice metric | 0.9211 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM459437
Similarity: 0.8023
Similarity to MM459437
| Tanimoto metric | 0.8023 |
|---|---|
| Cosine metric | 0.8903 |
| Dice metric | 0.8903 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+244 more
