MMsINC Database Search


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MMsINC code: MMs00845877

Type: Neutral
Formula: C₁₄H₇F₂NO₂

SMILES:

Fc1ccccc1N1C(=O)c2c(ccc(F)c2)C1=O

InChI:

InChI=1/C14H7F2NO2/c15-8-5-6-9-10(7-8)14(19)17(13(9)18)12-4-2-1-3-11(12)16/h1-7H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.1189 kcal/mol

Physical Properties
Molecular Weight: 259.211 g/mol	logS: -4.34855	SlogP: 2.7654	Reactive groups: 0

Topological Properties
Globularity: 0.0905199	Sterimol/B1: 2.42306	Sterimol/B2: 3.98881	Sterimol/B3: 4.00631
Sterimol/B4: 5.07057	Sterimol/L: 13.9911

Surface and Volume Properties
Accessible surface: 438.3	Positive charged surface: 190.786	Negative charged surface: 247.514	Volume: 216.25
Hydrophobic surface: 364.527	Hydrophilic surface: 73.773

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.