MMsINC Database Search


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MMsINC code: MMs01263080

Type: Neutral
Formula: C₁₄H₁₁F₂NO

SMILES:

Fc1ccccc1CC(=O)Nc1ccc(F)cc1

InChI:

InChI=1/C14H11F2NO/c15-11-5-7-12(8-6-11)17-14(18)9-10-3-1-2-4-13(10)16/h1-8H,9H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.4068 kcal/mol

Physical Properties
Molecular Weight: 247.244 g/mol	logS: -4.0063	SlogP: 3.14597	Reactive groups: 0

Topological Properties
Globularity: 0.0892204	Sterimol/B1: 2.84959	Sterimol/B2: 3.39705	Sterimol/B3: 4.6523
Sterimol/B4: 4.79742	Sterimol/L: 14.317

Surface and Volume Properties
Accessible surface: 455.993	Positive charged surface: 237.451	Negative charged surface: 218.542	Volume: 223.125
Hydrophobic surface: 419.571	Hydrophilic surface: 36.422

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.