MMsINC Database Search


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MMsINC code: MMs00626969

Type: Neutral
Formula: C₂₁H₁₇FN₂O₂

SMILES:

Fc1ccccc1C(=O)Nc1ccc(cc1)C(=O)NCc1ccccc1

InChI:

InChI=1/C21H17FN2O2/c22-19-9-5-4-8-18(19)21(26)24-17-12-10-16(11-13-17)20(25)23-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,23,25)(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.5144 kcal/mol

Physical Properties
Molecular Weight: 348.377 g/mol	logS: -5.56388	SlogP: 4.2744	Reactive groups: 0

Topological Properties
Globularity: 0.028403	Sterimol/B1: 2.48088	Sterimol/B2: 3.55616	Sterimol/B3: 4.00295
Sterimol/B4: 6.38183	Sterimol/L: 20.1502

Surface and Volume Properties
Accessible surface: 628.323	Positive charged surface: 335.688	Negative charged surface: 292.636	Volume: 329.375
Hydrophobic surface: 546.179	Hydrophilic surface: 82.144

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.