MMsINC Database Search


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MMsINC code: MMs02101075

Type: Neutral
Formula: C₁₄H₁₈F₂N₂O₂

SMILES:

Fc1cc(F)ccc1C(=O)NC(C(C)(C)C)C(=O)NC

InChI:

InChI=1/C14H18F2N2O2/c1-14(2,3)11(13(20)17-4)18-12(19)9-6-5-8(15)7-10(9)16/h5-7,11H,1-4H3,(H,17,20)(H,18,19)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.7924 kcal/mol

Physical Properties
Molecular Weight: 284.306 g/mol	logS: -3.22606	SlogP: 1.8553	Reactive groups: 0

Topological Properties
Globularity: 0.115954	Sterimol/B1: 2.10487	Sterimol/B2: 3.90897	Sterimol/B3: 5.28147
Sterimol/B4: 5.54893	Sterimol/L: 14.587

Surface and Volume Properties
Accessible surface: 485.54	Positive charged surface: 295.259	Negative charged surface: 190.281	Volume: 260.25
Hydrophobic surface: 385.013	Hydrophilic surface: 100.527

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.