MMsINC Database Search


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MMsINC code: MMs01621475

Type: Neutral
Formula: C₁₄H₁₁F₂NO

SMILES:

Fc1cccc(F)c1C(=O)NCc1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.5619 kcal/mol

Physical Properties
Molecular Weight: 247.244 g/mol	logS: -3.88887	SlogP: 3.1612	Reactive groups: 0

Topological Properties
Globularity: 0.102797	Sterimol/B1: 2.14881	Sterimol/B2: 3.878	Sterimol/B3: 3.87923
Sterimol/B4: 5.39513	Sterimol/L: 14.1109

Surface and Volume Properties
Accessible surface: 470.602	Positive charged surface: 231.279	Negative charged surface: 239.324	Volume: 224.75
Hydrophobic surface: 423.723	Hydrophilic surface: 46.879

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.