MMsINC Database Search


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MMsINC code: MMs01705381

Type: Neutral
Formula: C₁₇H₁₁F₂NO

SMILES:

Fc1cc(cc(F)c1)C(=O)Nc1c2c(ccc1)cccc2

InChI:

InChI=1/C17H11F2NO/c18-13-8-12(9-14(19)10-13)17(21)20-16-7-3-5-11-4-1-2-6-15(11)16/h1-10H,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.7783 kcal/mol

Physical Properties
Molecular Weight: 283.277 g/mol	logS: -5.82271	SlogP: 4.3703	Reactive groups: 0

Topological Properties
Globularity: 0.0182175	Sterimol/B1: 2.2364	Sterimol/B2: 2.93269	Sterimol/B3: 3.06486
Sterimol/B4: 6.95793	Sterimol/L: 14.7035

Surface and Volume Properties
Accessible surface: 486.075	Positive charged surface: 215.096	Negative charged surface: 259.908	Volume: 255.125
Hydrophobic surface: 453.672	Hydrophilic surface: 32.403

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.