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MMsINC code: MMs02746563

Type: Neutral
Formula: C₁₄H₁₁FO₃

SMILES:

Fc1cc(ccc1OC)-c1ccc(cc1)C(O)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.7375 kcal/mol

Physical Properties
Molecular Weight: 246.237 g/mol	logS: -4.12602	SlogP: 3.1995	Reactive groups: 0

Topological Properties
Globularity: 0.00395236	Sterimol/B1: 2.37367	Sterimol/B2: 2.37545	Sterimol/B3: 2.96008
Sterimol/B4: 4.99865	Sterimol/L: 15.9905

Surface and Volume Properties
Accessible surface: 457.048	Positive charged surface: 246.947	Negative charged surface: 197.885	Volume: 224
Hydrophobic surface: 352.228	Hydrophilic surface: 104.82

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02746564
PUBCHEM-ZINC00970970