MMsINC Database Search


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MMsINC code: MMs01425497

Type: Neutral
Formula: C₁₄H₁₁F₂NO

SMILES:

Fc1ccccc1CC(=O)Nc1ccccc1F

InChI:

InChI=1/C14H11F2NO/c15-11-6-2-1-5-10(11)9-14(18)17-13-8-4-3-7-12(13)16/h1-8H,9H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.6165 kcal/mol

Physical Properties
Molecular Weight: 247.244 g/mol	logS: -4.0063	SlogP: 3.14597	Reactive groups: 0

Topological Properties
Globularity: 0.0893462	Sterimol/B1: 2.85637	Sterimol/B2: 3.44602	Sterimol/B3: 4.72155
Sterimol/B4: 4.78758	Sterimol/L: 14.0895

Surface and Volume Properties
Accessible surface: 456.62	Positive charged surface: 240.456	Negative charged surface: 216.164	Volume: 223.125
Hydrophobic surface: 421.985	Hydrophilic surface: 34.635

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.