MMsINC Database Search


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MMsINC code: MMs01273626

Type: Neutral
Formula: C₁₄H₁₁F₂NO

SMILES:

Fc1cc(cc(F)c1)C(=O)Nc1ccc(cc1)C

InChI:

InChI=1/C14H11F2NO/c1-9-2-4-13(5-3-9)17-14(18)10-6-11(15)8-12(16)7-10/h2-8H,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.0351 kcal/mol

Physical Properties
Molecular Weight: 247.244 g/mol	logS: -4.41875	SlogP: 3.52552	Reactive groups: 0

Topological Properties
Globularity: 0.0167595	Sterimol/B1: 2.51999	Sterimol/B2: 2.53236	Sterimol/B3: 3.4429
Sterimol/B4: 4.19695	Sterimol/L: 15.1652

Surface and Volume Properties
Accessible surface: 459.658	Positive charged surface: 227.037	Negative charged surface: 232.621	Volume: 222.875
Hydrophobic surface: 421.752	Hydrophilic surface: 37.906

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.