MMsINC Database Search


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MMsINC code: MMs00121966

Type: Neutral
Formula: C₁₄H₁₂FNO

SMILES:

Fc1ccccc1C(=O)Nc1ccccc1C

InChI:

InChI=1/C14H12FNO/c1-10-6-2-5-9-13(10)16-14(17)11-7-3-4-8-12(11)15/h2-9H,1H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.0154 kcal/mol

Physical Properties
Molecular Weight: 229.254 g/mol	logS: -3.81032	SlogP: 3.38642	Reactive groups: 0

Topological Properties
Globularity: 0.018482	Sterimol/B1: 2.02086	Sterimol/B2: 2.13055	Sterimol/B3: 2.86681
Sterimol/B4: 6.5869	Sterimol/L: 14.1286

Surface and Volume Properties
Accessible surface: 441.543	Positive charged surface: 234.108	Negative charged surface: 207.434	Volume: 220.25
Hydrophobic surface: 414.273	Hydrophilic surface: 27.27

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.