MMsINC Database Search


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MMsINC code: MMs00702577

Type: Neutral
Formula: C₁₉H₂₀F₂N₂O₂

SMILES:

Fc1ccc(cc1)C(=O)NCC(CNC(=O)c1ccc(F)cc1)(C)C

InChI:

InChI=1/C19H20F2N2O2/c1-19(2,11-22-17(24)13-3-7-15(20)8-4-13)12-23-18(25)14-5-9-16(21)10-6-14/h3-10H,11-12H2,1-2H3,(H,22,24)(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.575 kcal/mol

Physical Properties
Molecular Weight: 346.377 g/mol	logS: -4.66675	SlogP: 3.1508	Reactive groups: 0

Topological Properties
Globularity: 0.0221029	Sterimol/B1: 2.37483	Sterimol/B2: 4.1109	Sterimol/B3: 4.44122
Sterimol/B4: 4.8744	Sterimol/L: 19.4726

Surface and Volume Properties
Accessible surface: 600.22	Positive charged surface: 306.729	Negative charged surface: 293.491	Volume: 326.25
Hydrophobic surface: 493.774	Hydrophilic surface: 106.446

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.