MMsINC Database Search


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MMsINC code: MMs01639194

Type: Neutral
Formula: C₂₀H₁₈F₂N₂O₃

SMILES:

Fc1ccc(F)cc1C1(NC(=O)N(CC(=O)c2ccc(cc2C)C)C1=O)C

InChI:

InChI=1/C20H18F2N2O3/c1-11-4-6-14(12(2)8-11)17(25)10-24-18(26)20(3,23-19(24)27)15-9-13(21)5-7-16(15)22/h4-9H,10H2,1-3H3,(H,23,27)/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.5263 kcal/mol

Physical Properties
Molecular Weight: 372.371 g/mol	logS: -5.76665	SlogP: 3.54304	Reactive groups: 0

Topological Properties
Globularity: 0.0687601	Sterimol/B1: 3.11808	Sterimol/B2: 3.87791	Sterimol/B3: 4.97242
Sterimol/B4: 5.56464	Sterimol/L: 17.896

Surface and Volume Properties
Accessible surface: 596.098	Positive charged surface: 322.499	Negative charged surface: 273.599	Volume: 332.125
Hydrophobic surface: 480.88	Hydrophilic surface: 115.218

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.