MMsINC Database Search


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MMsINC code: MMs00697913

Type: Neutral
Formula: C₁₆H₁₄F₂N₂O₂

SMILES:

Fc1ccc(cc1)C(=O)NCCNC(=O)c1ccc(F)cc1

InChI:

InChI=1/C16H14F2N2O2/c17-13-5-1-11(2-6-13)15(21)19-9-10-20-16(22)12-3-7-14(18)8-4-12/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)=56.5604 kcal/mol

Physical Properties
Molecular Weight: 304.296 g/mol	logS: -4.06144	SlogP: 2.1246	Reactive groups: 0

Topological Properties
Globularity: 0.00381015	Sterimol/B1: 2.37436	Sterimol/B2: 2.37678	Sterimol/B3: 2.67436
Sterimol/B4: 5.28917	Sterimol/L: 19.289

Surface and Volume Properties
Accessible surface: 541.685	Positive charged surface: 280.255	Negative charged surface: 261.43	Volume: 271.75
Hydrophobic surface: 459.796	Hydrophilic surface: 81.889

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.