MMsINC Database Search


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MMsINC code: MMs02150517

Type: Neutral
Formula: C₂₀H₁₄F₂N₂O₃

SMILES:

Fc1cc(F)ccc1C(=O)Nc1ccc(NC(=O)c2ccccc2O)cc1

InChI:

InChI=1/C20H14F2N2O3/c21-12-5-10-15(17(22)11-12)19(26)23-13-6-8-14(9-7-13)24-20(27)16-3-1-2-4-18(16)25/h1-11,25H,(H,23,26)(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.063 kcal/mol

Physical Properties
Molecular Weight: 368.339 g/mol	logS: -5.55287	SlogP: 4.175	Reactive groups: 0

Topological Properties
Globularity: 0.0170664	Sterimol/B1: 2.31746	Sterimol/B2: 3.32058	Sterimol/B3: 3.72282
Sterimol/B4: 5.26847	Sterimol/L: 20.9017

Surface and Volume Properties
Accessible surface: 600.722	Positive charged surface: 309.319	Negative charged surface: 291.403	Volume: 320.25
Hydrophobic surface: 492.397	Hydrophilic surface: 108.325

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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.