MMsINC Database Search


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MMsINC code: MMs01439650

Type: Neutral
Formula: C₁₅H₁₂F₂N₂O₂

SMILES:

Fc1cc(F)ccc1NC(=O)Nc1ccc(cc1)C(=O)C

InChI:

InChI=1/C15H12F2N2O2/c1-9(20)10-2-5-12(6-3-10)18-15(21)19-14-7-4-11(16)8-13(14)17/h2-8H,1H3,(H2,18,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.6255 kcal/mol

Physical Properties
Molecular Weight: 290.269 g/mol	logS: -4.15428	SlogP: 3.8114	Reactive groups: 0

Topological Properties
Globularity: 0.0296968	Sterimol/B1: 2.55285	Sterimol/B2: 3.37963	Sterimol/B3: 3.65237
Sterimol/B4: 4.17512	Sterimol/L: 16.987

Surface and Volume Properties
Accessible surface: 508.946	Positive charged surface: 265.986	Negative charged surface: 242.96	Volume: 252.875
Hydrophobic surface: 408.506	Hydrophilic surface: 100.44

Pharmacophoric Properties
Hydrogen bond donors: 2	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.