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DocumentationIdentifier: MM389131
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM389131 |
| SMILES |
C=CC(C=CF)CC=CF
|
| InChIKey |
BTBCHVCRWYRWRG-UHFFFAOYSA-N
|
| MW [Da] |
144.16
Automatically obtained from RDkit software. |
| LogP |
3.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM303871
Similarity: 0.8788
Similarity to MM303871
| Tanimoto metric | 0.8788 |
|---|---|
| Cosine metric | 0.9355 |
| Dice metric | 0.9355 |
| MW: | 144.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199606
Similarity: 0.8226
Similarity to MM199606
| Tanimoto metric | 0.8226 |
|---|---|
| Cosine metric | 0.907 |
| Dice metric | 0.9027 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116275
Similarity: 0.7742
Similarity to MM116275
| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.8799 |
| Dice metric | 0.8727 |
| MW: | 114.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+319 more
