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Identifier: MM388523

2D Structure
3D Structure
Source:
General
Identifier MM388523
SMILES CC=CC(CC)CCCF
InChIKey GBCHGHIUYJXSNX-UHFFFAOYSA-N
MW [Da] 144.23

Automatically obtained from RDkit software.
LogP 3.34

Automatically obtained from RDkit software.
Links

PubChem

 N/A

DrugBank

 N/A

ChEBI

 N/A

PDB

 N/A

ChEMBL

 N/A
Similar entries
MM157093
Similarity: 0.7949
Similarity to MM157093
Tanimoto metric 0.7949
Cosine metric 0.8916
Dice metric 0.8857
MW:
130.21
PI:
2
Total passive interactions
MM388523
 2
MM157093
 2
LogP:
2.95
AI:
0
Total active interactions
MM388523
 0
MM157093
 0
MM198782
Similarity: 0.7692
Similarity to MM198782
Tanimoto metric 0.7692
Cosine metric 0.8771
Dice metric 0.8696
MW:
130.21
PI:
2
Total passive interactions
MM388523
 2
MM198782
 2
LogP:
2.95
AI:
0
Total active interactions
MM388523
 0
MM198782
 0
MM388791
Similarity: 0.6923
Similarity to MM388791
Tanimoto metric 0.6923
Cosine metric 0.8183
Dice metric 0.8182
MW:
142.22
PI:
2
Total passive interactions
MM388523
 2
MM388791
 2
LogP:
3.11
AI:
0
Total active interactions
MM388523
 0
MM388791
 0
+535 more

No data

Methods

Computed
QSAR
Simulated
Coarse grain MD

No data

No transporter data found.