MMsINC Database Search


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MMsINC code: MMs01631978

Type: Neutral
Formula: C₁₅H₁₂F₂N₂O₂

SMILES:

Fc1ccc(F)cc1NC(=O)c1ccc(NC(=O)C)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.9107 kcal/mol

Physical Properties
Molecular Weight: 290.269 g/mol	logS: -4.15428	SlogP: 3.1755	Reactive groups: 0

Topological Properties
Globularity: 0.00804605	Sterimol/B1: 2.4611	Sterimol/B2: 2.5483	Sterimol/B3: 3.42818
Sterimol/B4: 4.94339	Sterimol/L: 17.2173

Surface and Volume Properties
Accessible surface: 507.391	Positive charged surface: 262.977	Negative charged surface: 244.414	Volume: 252.875
Hydrophobic surface: 421.206	Hydrophilic surface: 86.185

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.