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DocumentationIdentifier: MM455852
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM455852 |
| SMILES |
CC#CC#CC#CCNC
|
| InChIKey |
MORQBAHBLWGYJJ-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM57282
Similarity: 0.9556
Similarity to MM57282
| Tanimoto metric | 0.9556 |
|---|---|
| Cosine metric | 0.9775 |
| Dice metric | 0.9773 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57865
Similarity: 0.8222
Similarity to MM57865
| Tanimoto metric | 0.8222 |
|---|---|
| Cosine metric | 0.9068 |
| Dice metric | 0.9024 |
| MW: | 107.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM458836
Similarity: 0.8113
Similarity to MM458836
| Tanimoto metric | 0.8113 |
|---|---|
| Cosine metric | 0.8976 |
| Dice metric | 0.8958 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+329 more
