MMsINC Database Search


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MMsINC code: MMs02887205

Type: Neutral
Formula: C₁₄H₁₁FO

SMILES:

Fc1ccccc1CC(=O)c1ccccc1

InChI:

InChI=1/C14H11FO/c15-13-9-5-4-8-12(13)10-14(16)11-6-2-1-3-7-11/h1-9H,10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.6546 kcal/mol

Physical Properties
Molecular Weight: 214.239 g/mol	logS: -3.81414	SlogP: 3.25107	Reactive groups: 0

Topological Properties
Globularity: 0.0809555	Sterimol/B1: 3.37496	Sterimol/B2: 3.42518	Sterimol/B3: 3.66852
Sterimol/B4: 3.68504	Sterimol/L: 14.287

Surface and Volume Properties
Accessible surface: 429.29	Positive charged surface: 219.659	Negative charged surface: 209.631	Volume: 209.875
Hydrophobic surface: 403.217	Hydrophilic surface: 26.073

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.