MMsINC Database Search


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MMsINC code: MMs00076918

Type: Neutral
Formula: C₂₀H₁₆FNO

SMILES:

Fc1cc(ccc1)C(=O)NC(c1ccccc1)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.6967 kcal/mol

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

Topological Properties
Globularity: 0.177511	Sterimol/B1: 2.29754	Sterimol/B2: 3.9618	Sterimol/B3: 4.1861
Sterimol/B4: 9.17569	Sterimol/L: 13.8548

Surface and Volume Properties
Accessible surface: 555.712	Positive charged surface: 272.247	Negative charged surface: 283.465	Volume: 301.375
Hydrophobic surface: 524.679	Hydrophilic surface: 31.033

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.