MMsINC Database Search


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MMsINC code: MMs00615554

Type: Neutral
Formula: C₁₃H₉F₂NO

SMILES:

Fc1cccc(F)c1C(=O)Nc1ccccc1

InChI:

InChI=1/C13H9F2NO/c14-10-7-4-8-11(15)12(10)13(17)16-9-5-2-1-3-6-9/h1-8H,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.05 kcal/mol

Physical Properties
Molecular Weight: 233.217 g/mol	logS: -3.94483	SlogP: 3.2171	Reactive groups: 0

Topological Properties
Globularity: 0.0506736	Sterimol/B1: 2.8362	Sterimol/B2: 3.15486	Sterimol/B3: 3.50311
Sterimol/B4: 3.74028	Sterimol/L: 14.249

Surface and Volume Properties
Accessible surface: 427.263	Positive charged surface: 205.863	Negative charged surface: 221.4	Volume: 205.375
Hydrophobic surface: 388.164	Hydrophilic surface: 39.099

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.