MMsINC Database Search


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MMsINC code: MMs01696511

Type: Neutral
Formula: C₁₆H₁₄F₂N₂O₂

SMILES:

Fc1ccccc1C(=O)NCC(=O)NCc1ccc(F)cc1

InChI:

InChI=1/C16H14F2N2O2/c17-12-7-5-11(6-8-12)9-19-15(21)10-20-16(22)13-3-1-2-4-14(13)18/h1-8H,9-10H2,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.4448 kcal/mol

Physical Properties
Molecular Weight: 304.296 g/mol	logS: -4.06144	SlogP: 2.2774	Reactive groups: 0

Topological Properties
Globularity: 0.0333206	Sterimol/B1: 2.55626	Sterimol/B2: 3.61789	Sterimol/B3: 3.62032
Sterimol/B4: 5.59318	Sterimol/L: 18.8113

Surface and Volume Properties
Accessible surface: 549.479	Positive charged surface: 299.029	Negative charged surface: 250.45	Volume: 272.875
Hydrophobic surface: 453.313	Hydrophilic surface: 96.166

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.