MMsINC Database Search


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MMsINC code: MMs01126562

Type: Neutral
Formula: C₂₀H₁₈F₂N₂O₂

SMILES:

Fc1cc(NC(=O)N(Cc2ccc(F)cc2)Cc2oc(cc2)C)ccc1

InChI:

InChI=1/C20H18F2N2O2/c1-14-5-10-19(26-14)13-24(12-15-6-8-16(21)9-7-15)20(25)23-18-4-2-3-17(22)11-18/h2-11H,12-13H2,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.635 kcal/mol

Physical Properties
Molecular Weight: 356.372 g/mol	logS: -5.51292	SlogP: 5.63332	Reactive groups: 0

Topological Properties
Globularity: 0.141538	Sterimol/B1: 2.13098	Sterimol/B2: 3.39745	Sterimol/B3: 4.50241
Sterimol/B4: 12.1817	Sterimol/L: 14.3692

Surface and Volume Properties
Accessible surface: 613.913	Positive charged surface: 323.656	Negative charged surface: 290.257	Volume: 330.75
Hydrophobic surface: 577.025	Hydrophilic surface: 36.888

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.