MMsINC Database Search


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MMsINC code: MMs00063183

Type: Neutral
Formula: C₁₇H₁₄F₂N₂O₂

SMILES:

Fc1ccccc1NC(=O)C1CC(=O)N(C1)c1ccc(F)cc1

InChI:

InChI=1/C17H14F2N2O2/c18-12-5-7-13(8-6-12)21-10-11(9-16(21)22)17(23)20-15-4-2-1-3-14(15)19/h1-8,11H,9-10H2,(H,20,23)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.6273 kcal/mol

Physical Properties
Molecular Weight: 316.307 g/mol	logS: -3.85461	SlogP: 2.9564	Reactive groups: 0

Topological Properties
Globularity: 0.0855551	Sterimol/B1: 2.50811	Sterimol/B2: 3.41157	Sterimol/B3: 3.97981
Sterimol/B4: 7.14366	Sterimol/L: 16.0925

Surface and Volume Properties
Accessible surface: 531.778	Positive charged surface: 283.69	Negative charged surface: 248.088	Volume: 277.75
Hydrophobic surface: 470.193	Hydrophilic surface: 61.585

Pharmacophoric Properties
Hydrogen bond donors: 1	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.