MMsINC Database Search


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MMsINC code: MMs02194511

Type: Neutral
Formula: C₁₄H₁₁FO

SMILES:

Fc1cc(ccc1C(=O)C)-c1ccccc1

InChI:

InChI=1/C14H11FO/c1-10(16)13-8-7-12(9-14(13)15)11-5-3-2-4-6-11/h2-9H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.1819 kcal/mol

Physical Properties
Molecular Weight: 214.239 g/mol	logS: -4.41851	SlogP: 3.6953	Reactive groups: 0

Topological Properties
Globularity: 0.00526663	Sterimol/B1: 2.37422	Sterimol/B2: 2.37589	Sterimol/B3: 3.17963
Sterimol/B4: 4.96378	Sterimol/L: 14.4145

Surface and Volume Properties
Accessible surface: 418.14	Positive charged surface: 194.681	Negative charged surface: 212.387	Volume: 208.625
Hydrophobic surface: 381.172	Hydrophilic surface: 36.968

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.