MMsINC Database Search


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MMsINC code: MMs00742756

Type: Neutral
Formula: C₂₀H₁₅FN₂O₂

SMILES:

Fc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccccc1

InChI:

InChI=1/C20H15FN2O2/c21-17-12-6-4-10-15(17)19(24)23-18-13-7-5-11-16(18)20(25)22-14-8-2-1-3-9-14/h1-13H,(H,22,25)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.46 kcal/mol

Physical Properties
Molecular Weight: 334.35 g/mol	logS: -5.61984	SlogP: 4.3303	Reactive groups: 0

Topological Properties
Globularity: 0.0220408	Sterimol/B1: 2.47723	Sterimol/B2: 2.57559	Sterimol/B3: 2.88098
Sterimol/B4: 9.78467	Sterimol/L: 15.7501

Surface and Volume Properties
Accessible surface: 576.978	Positive charged surface: 305.925	Negative charged surface: 271.052	Volume: 309.5
Hydrophobic surface: 521.893	Hydrophilic surface: 55.085

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.