MMsINC Database Search


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MMsINC code: MMs01616086

Type: Neutral
Formula: C₁₅H₁₃F₂NO₂

SMILES:

Fc1cc(F)ccc1C(=O)NCc1ccccc1OC

InChI:

InChI=1/C15H13F2NO2/c1-20-14-5-3-2-4-10(14)9-18-15(19)12-7-6-11(16)8-13(12)17/h2-8H,9H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.4069 kcal/mol

Physical Properties
Molecular Weight: 277.27 g/mol	logS: -3.93925	SlogP: 3.1698	Reactive groups: 0

Topological Properties
Globularity: 0.135931	Sterimol/B1: 2.22689	Sterimol/B2: 3.04805	Sterimol/B3: 5.0015
Sterimol/B4: 7.08364	Sterimol/L: 14.3004

Surface and Volume Properties
Accessible surface: 501.66	Positive charged surface: 290.746	Negative charged surface: 210.914	Volume: 251.375
Hydrophobic surface: 456.284	Hydrophilic surface: 45.376

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.