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Identifier: MM174046

2D Structure
3D Structure
Source:
General
Identifier MM174046
SMILES C=CC(F)C(O)C=CC
InChIKey WZHSGIDKKALOGZ-UHFFFAOYSA-N
MW [Da] 130.16

Automatically obtained from RDkit software.
LogP 1.45

Automatically obtained from RDkit software.
Links

PubChem

 N/A

DrugBank

 N/A

ChEBI

 N/A

PDB

 N/A

ChEMBL

 N/A
Similar entries
MM174052
Similarity: 0.8018
Similarity to MM174052
Tanimoto metric 0.8018
Cosine metric 0.89
Dice metric 0.89
MW:
130.16
PI:
2
Total passive interactions
MM174046
 2
MM174052
 2
LogP:
1.45
AI:
0
Total active interactions
MM174046
 0
MM174052
 0
MM355630
Similarity: 0.8
Similarity to MM355630
Tanimoto metric 0.8
Cosine metric 0.8944
Dice metric 0.8889
MW:
140.16
PI:
2
Total passive interactions
MM174046
 2
MM355630
 2
LogP:
1.06
AI:
0
Total active interactions
MM174046
 0
MM355630
 0
MM108577
Similarity: 0.75
Similarity to MM108577
Tanimoto metric 0.75
Cosine metric 0.866
Dice metric 0.8571
MW:
118.15
PI:
2
Total passive interactions
MM174046
 2
MM108577
 2
LogP:
1.28
AI:
0
Total active interactions
MM174046
 0
MM108577
 0
+454 more

No data

Methods

Computed
QSAR
Simulated
Coarse grain MD

No data

No transporter data found.