MMsINC Database Search


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MMsINC code: MMs00615128

Type: Neutral
Formula: C₂₀H₁₆FNO

SMILES:

Fc1ccccc1C(=O)NC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C20H16FNO/c21-18-14-8-7-13-17(18)20(23)22-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.9641 kcal/mol

Physical Properties
Molecular Weight: 305.352 g/mol	logS: -5.36179	SlogP: 4.4406	Reactive groups: 0

Topological Properties
Globularity: 0.177878	Sterimol/B1: 2.38608	Sterimol/B2: 3.23401	Sterimol/B3: 4.91758
Sterimol/B4: 9.0765	Sterimol/L: 13.8523

Surface and Volume Properties
Accessible surface: 554.454	Positive charged surface: 280.431	Negative charged surface: 274.023	Volume: 300.375
Hydrophobic surface: 527.478	Hydrophilic surface: 26.976

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.