MMsINC Database Search


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MMsINC code: MMs00020304

Type: Neutral
Formula: C₉H₆FNO

SMILES:

Fc1cc2c([nH]cc2C=O)cc1

InChI:

InChI=1/C9H6FNO/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-5,11H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.6692 kcal/mol

Physical Properties
Molecular Weight: 163.151 g/mol	logS: -1.97587	SlogP: 2.1195	Reactive groups: 1

Topological Properties
Globularity: 2.80124e-07	Sterimol/B1: 2.09738	Sterimol/B2: 2.09798	Sterimol/B3: 4.00011
Sterimol/B4: 4.01999	Sterimol/L: 10.633

Surface and Volume Properties
Accessible surface: 329.479	Positive charged surface: 160.354	Negative charged surface: 163.038	Volume: 146.375
Hydrophobic surface: 215.486	Hydrophilic surface: 113.993

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.