MMsINC Database Search


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MMsINC code: MMs01618249

Type: Neutral
Formula: C₁₅H₁₃F₂NO₂

SMILES:

Fc1ccc(cc1NC(=O)COc1ccccc1F)C

InChI:

InChI=1/C15H13F2NO2/c1-10-6-7-11(16)13(8-10)18-15(19)9-20-14-5-3-2-4-12(14)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)=83.6381 kcal/mol

Physical Properties
Molecular Weight: 277.27 g/mol	logS: -4.49557	SlogP: 3.29072	Reactive groups: 0

Topological Properties
Globularity: 0.0129838	Sterimol/B1: 2.01763	Sterimol/B2: 2.18608	Sterimol/B3: 2.88114
Sterimol/B4: 6.82483	Sterimol/L: 16.4092

Surface and Volume Properties
Accessible surface: 505.382	Positive charged surface: 276.082	Negative charged surface: 229.3	Volume: 249.875
Hydrophobic surface: 456.827	Hydrophilic surface: 48.555

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.