MMsINC Database Search


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MMsINC code: MMs01627432

Type: Neutral
Formula: C₁₅H₁₃F₂NO₂

SMILES:

Fc1cc(F)ccc1C(=O)NCc1cc(OC)ccc1

InChI:

InChI=1/C15H13F2NO2/c1-20-12-4-2-3-10(7-12)9-18-15(19)13-6-5-11(16)8-14(13)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)=49.6652 kcal/mol

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

Topological Properties
Globularity: 0.0736949	Sterimol/B1: 2.44526	Sterimol/B2: 2.86775	Sterimol/B3: 5.13973
Sterimol/B4: 5.64749	Sterimol/L: 15.6495

Surface and Volume Properties
Accessible surface: 508.083	Positive charged surface: 294.544	Negative charged surface: 213.539	Volume: 250.125
Hydrophobic surface: 452.932	Hydrophilic surface: 55.151

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.