MMsINC Database Search


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MMsINC code: MMs02331102

Type: Neutral
Formula: C₆H₄FNO₃

SMILES:

Fc1cc([N+](=O)[O-])cc(O)c1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.5333 kcal/mol

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

Topological Properties
Globularity: 0.0102907	Sterimol/B1: 2.13581	Sterimol/B2: 2.23969	Sterimol/B3: 2.53445
Sterimol/B4: 5.50385	Sterimol/L: 9.27855

Surface and Volume Properties
Accessible surface: 301.848	Positive charged surface: 116.065	Negative charged surface: 185.784	Volume: 120.875
Hydrophobic surface: 166.998	Hydrophilic surface: 134.85

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.