MMsINC Database Search


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MMsINC code: MMs00788755

Type: Neutral
Formula: C₁₃H₇F₄NO

SMILES:

Fc1cc(F)ccc1C(=O)Nc1cc(F)ccc1F

InChI:

InChI=1/C13H7F4NO/c14-7-1-3-9(11(17)5-7)13(19)18-12-6-8(15)2-4-10(12)16/h1-6H,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.5531 kcal/mol

Physical Properties
Molecular Weight: 269.197 g/mol	logS: -4.53479	SlogP: 3.4953	Reactive groups: 0

Topological Properties
Globularity: 0.0150483	Sterimol/B1: 2.25686	Sterimol/B2: 2.73774	Sterimol/B3: 2.78245
Sterimol/B4: 5.27397	Sterimol/L: 14.5252

Surface and Volume Properties
Accessible surface: 427.149	Positive charged surface: 181.916	Negative charged surface: 245.233	Volume: 211.125
Hydrophobic surface: 396.146	Hydrophilic surface: 31.003

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.