Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM378007
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378007 |
| SMILES |
C=CC=CC(C#N)NCC
|
| InChIKey |
URIDTLQATCJUDP-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM272709
Similarity: 0.7321
Similarity to MM272709
| Tanimoto metric | 0.7321 |
|---|---|
| Cosine metric | 0.8461 |
| Dice metric | 0.8454 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388934
Similarity: 0.7257
Similarity to MM388934
| Tanimoto metric | 0.7257 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.841 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40916
Similarity: 0.7094
Similarity to MM40916
| Tanimoto metric | 0.7094 |
|---|---|
| Cosine metric | 0.83 |
| Dice metric | 0.83 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+185 more
