MMsINC Database Search


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MMsINC code: MMs02709648

Type: Neutral
Formula: C₁₃H₁₀F₂N₂O

SMILES:

Fc1cccc(F)c1NC(=O)Nc1ccccc1

InChI:

InChI=1/C13H10F2N2O/c14-10-7-4-8-11(15)12(10)17-13(18)16-9-5-2-1-3-6-9/h1-8H,(H2,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.0737 kcal/mol

Physical Properties
Molecular Weight: 248.232 g/mol	logS: -3.84201	SlogP: 3.6088	Reactive groups: 0

Topological Properties
Globularity: 0.0496318	Sterimol/B1: 2.72208	Sterimol/B2: 2.93301	Sterimol/B3: 3.31171
Sterimol/B4: 4.52862	Sterimol/L: 14.4024

Surface and Volume Properties
Accessible surface: 442.14	Positive charged surface: 236.174	Negative charged surface: 205.966	Volume: 217.125
Hydrophobic surface: 387.445	Hydrophilic surface: 54.695

Pharmacophoric Properties
Hydrogen bond donors: 2	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.