MMsINC Database Search


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MMsINC code: MMs02545700

Type: Neutral
Formula: C₉H₉FO

SMILES:

Fc1ccccc1OCC=C

InChI:

InChI=1/C9H9FO/c1-2-7-11-9-6-4-3-5-8(9)10/h2-6H,1,7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.6152 kcal/mol

Physical Properties
Molecular Weight: 152.168 g/mol	logS: -2.22647	SlogP: 2.3905	Reactive groups: 0

Topological Properties
Globularity: 0.0282709	Sterimol/B1: 2.10275	Sterimol/B2: 3.05374	Sterimol/B3: 3.76846
Sterimol/B4: 4.26762	Sterimol/L: 12.262

Surface and Volume Properties
Accessible surface: 348.949	Positive charged surface: 186.611	Negative charged surface: 162.339	Volume: 151.75
Hydrophobic surface: 282.625	Hydrophilic surface: 66.324

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.