MMsINC Database Search


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MMsINC code: MMs00481039

Type: Neutral
Formula: C₁₁H₈FNO

SMILES:

Fc1ccccc1C(=O)c1cc[nH]c1

InChI:

InChI=1/C11H8FNO/c12-10-4-2-1-3-9(10)11(14)8-5-6-13-7-8/h1-7,13H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.6758 kcal/mol

Physical Properties
Molecular Weight: 189.189 g/mol	logS: -2.19589	SlogP: 2.3848	Reactive groups: 0

Topological Properties
Globularity: 0.129339	Sterimol/B1: 2.22433	Sterimol/B2: 3.12735	Sterimol/B3: 4.10757
Sterimol/B4: 4.33473	Sterimol/L: 12.2452

Surface and Volume Properties
Accessible surface: 380.67	Positive charged surface: 183.532	Negative charged surface: 197.138	Volume: 176.125
Hydrophobic surface: 270.211	Hydrophilic surface: 110.459

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.