MMsINC Database Search


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MMsINC code: MMs02130217

Type: Neutral
Formula: C₁₄H₆F₅NO₄

SMILES:

Fc1cccc(F)c1C(Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)=O

InChI:

InChI=1/C14H6F5NO4/c15-8-2-1-3-9(16)12(8)13(21)24-11-5-4-7(14(17,18)19)6-10(11)20(22)23/h1-6H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.3972 kcal/mol

Physical Properties
Molecular Weight: 347.195 g/mol	logS: -5.93568	SlogP: 4.4225	Reactive groups: 0

Topological Properties
Globularity: 0.0179928	Sterimol/B1: 2.49329	Sterimol/B2: 3.32942	Sterimol/B3: 3.78857
Sterimol/B4: 5.37217	Sterimol/L: 15.2973

Surface and Volume Properties
Accessible surface: 486.918	Positive charged surface: 154.094	Negative charged surface: 332.824	Volume: 247.625
Hydrophobic surface: 292.861	Hydrophilic surface: 194.057

Pharmacophoric Properties
Hydrogen bond donors: 0	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.