MMsINC Database Search


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MMsINC code: MMs00834172

Type: Neutral
Formula: C₂₁H₁₇FN₂O₂

SMILES:

Fc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccccc1

InChI:

InChI=1/C21H17FN2O2/c22-18-12-6-4-10-16(18)21(26)24-19-13-7-5-11-17(19)20(25)23-14-15-8-2-1-3-9-15/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)=85.473 kcal/mol

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

Topological Properties
Globularity: 0.0484298	Sterimol/B1: 3.58437	Sterimol/B2: 3.89714	Sterimol/B3: 3.94224
Sterimol/B4: 7.61782	Sterimol/L: 18.1912

Surface and Volume Properties
Accessible surface: 615.431	Positive charged surface: 332.32	Negative charged surface: 283.111	Volume: 327.25
Hydrophobic surface: 554.459	Hydrophilic surface: 60.972

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.