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MMsINC code: MMs00041053

Type: Neutral
Formula: C₁₉H₁₆F₂N₂O₃

SMILES:

Fc1cc(F)ccc1-c1cc2c(NC(=O)C3N(CC(OC)C3)C2=O)cc1

InChI:

InChI=1/C19H16F2N2O3/c1-26-12-8-17-18(24)22-16-5-2-10(6-14(16)19(25)23(17)9-12)13-4-3-11(20)7-15(13)21/h2-7,12,17H,8-9H2,1H3,(H,22,24)/t12-,17+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.642 kcal/mol

Physical Properties
Molecular Weight: 358.344 g/mol	logS: -5.28554	SlogP: 2.8134	Reactive groups: 0

Topological Properties
Globularity: 0.0481728	Sterimol/B1: 2.63239	Sterimol/B2: 3.17693	Sterimol/B3: 3.71693
Sterimol/B4: 6.40823	Sterimol/L: 18.0321

Surface and Volume Properties
Accessible surface: 570.299	Positive charged surface: 349.183	Negative charged surface: 215.628	Volume: 311
Hydrophobic surface: 469.073	Hydrophilic surface: 101.226

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.