MMsINC Database Search


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MMsINC code: MMs00005939

Type: Neutral
Formula: C₆H₄FNO₃

SMILES:

Fc1cc([N+](=O)[O-])c(O)cc1

InChI:

InChI=1/C6H4FNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.7707 kcal/mol

Physical Properties
Molecular Weight: 157.1 g/mol	logS: -2.10814	SlogP: 1.4395	Reactive groups: 0

Topological Properties
Globularity: 0.0116995	Sterimol/B1: 2.16419	Sterimol/B2: 2.19847	Sterimol/B3: 3.49533
Sterimol/B4: 4.24177	Sterimol/L: 9.29555

Surface and Volume Properties
Accessible surface: 295.292	Positive charged surface: 118.702	Negative charged surface: 176.59	Volume: 120.5
Hydrophobic surface: 175.181	Hydrophilic surface: 120.111

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.