Identifier: MM102853
2D Structure
3D Structure
Source:
General | |
Identifier | MM102853 |
SMILES |
CC(C)(C)C=CC=O
|
InChIKey |
JZJVARRPMMVFRQ-UHFFFAOYSA-N
|
MW [Da] |
112.17
Automatically obtained from RDkit software. |
LogP |
1.79
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM25961
Similarity: 0.8
Similarity to MM25961
Tanimoto metric | 0.8 |
---|---|
Cosine metric | 0.8944 |
Dice metric | 0.8889 |
MW: | 98.15 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 1.4 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM138887
Similarity: 0.7273
Similarity to MM138887
Tanimoto metric | 0.7273 |
---|---|
Cosine metric | 0.8528 |
Dice metric | 0.8421 |
MW: | 124.18 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 1.95 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM130474
Similarity: 0.7143
Similarity to MM130474
Tanimoto metric | 0.7143 |
---|---|
Cosine metric | 0.8452 |
Dice metric | 0.8333 |
MW: | 126.2 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 2.18 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+428 more