MMsINC Database Search


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MMsINC code: MMs02224112

Type: Neutral
Formula: C₉H₉FO

SMILES:

Fc1cc(O)c(cc1)CC=C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.0945 kcal/mol

Physical Properties
Molecular Weight: 152.168 g/mol	logS: -2.47607	SlogP: 2.25977	Reactive groups: 0

Topological Properties
Globularity: 0.111579	Sterimol/B1: 2.37355	Sterimol/B2: 3.48847	Sterimol/B3: 3.54838
Sterimol/B4: 4.57672	Sterimol/L: 10.8445

Surface and Volume Properties
Accessible surface: 341.67	Positive charged surface: 189.632	Negative charged surface: 152.039	Volume: 150.25
Hydrophobic surface: 251.339	Hydrophilic surface: 90.331

Pharmacophoric Properties
Hydrogen bond donors: 1	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.