MMsINC Database Search


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MMsINC code: MMs00590913

Type: Neutral
Formula: C₁₅H₁₃F₂NO₂

SMILES:

Fc1cc(F)ccc1NC(=O)COc1ccccc1C

InChI:

InChI=1/C15H13F2NO2/c1-10-4-2-3-5-14(10)20-9-15(19)18-13-7-6-11(16)8-12(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)=76.374 kcal/mol

Physical Properties
Molecular Weight: 277.27 g/mol	logS: -4.18212	SlogP: 3.29072	Reactive groups: 0

Topological Properties
Globularity: 0.0166264	Sterimol/B1: 1.98134	Sterimol/B2: 2.29859	Sterimol/B3: 3.01551
Sterimol/B4: 6.62539	Sterimol/L: 16.5083

Surface and Volume Properties
Accessible surface: 502.607	Positive charged surface: 271.882	Negative charged surface: 230.725	Volume: 250
Hydrophobic surface: 457.838	Hydrophilic surface: 44.769

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.