MMsINC Database Search


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MMsINC code: MMs01465795

Type: Neutral
Formula: C₁₉H₂₁FN₂O₂

SMILES:

Fc1ccccc1C(=O)NC(C(C)C)C(=O)NCc1ccccc1

InChI:

InChI=1/C19H21FN2O2/c1-13(2)17(19(24)21-12-14-8-4-3-5-9-14)22-18(23)15-10-6-7-11-16(15)20/h3-11,13,17H,12H2,1-2H3,(H,21,24)(H,22,23)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.5233 kcal/mol

Physical Properties
Molecular Weight: 328.387 g/mol	logS: -4.49721	SlogP: 3.1629	Reactive groups: 0

Topological Properties
Globularity: 0.0787667	Sterimol/B1: 2.48353	Sterimol/B2: 3.41188	Sterimol/B3: 4.07051
Sterimol/B4: 6.48021	Sterimol/L: 18.4929

Surface and Volume Properties
Accessible surface: 596.934	Positive charged surface: 338.478	Negative charged surface: 258.456	Volume: 320.5
Hydrophobic surface: 500.025	Hydrophilic surface: 96.909

Pharmacophoric Properties
Hydrogen bond donors: 2	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.