MMsINC Database Search


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MMsINC code: MMs03493806

Type: Neutral
Formula: C₁₄H₁₁FO₃

SMILES:

Fc1ccccc1C(=O)c1ccc(OC)cc1O

InChI:

InChI=1/C14H11FO3/c1-18-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15/h2-8,16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.7283 kcal/mol

Physical Properties
Molecular Weight: 246.237 g/mol	logS: -3.4411	SlogP: 2.7709	Reactive groups: 0

Topological Properties
Globularity: 0.114996	Sterimol/B1: 3.43866	Sterimol/B2: 3.50294	Sterimol/B3: 4.26522
Sterimol/B4: 4.85475	Sterimol/L: 14.5047

Surface and Volume Properties
Accessible surface: 451.571	Positive charged surface: 265.118	Negative charged surface: 186.453	Volume: 224.75
Hydrophobic surface: 370.346	Hydrophilic surface: 81.225

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.