MMsINC Database Search


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MMsINC code: MMs00054875

Type: Neutral
Formula: C₁₂H₁₀FN

SMILES:

Fc1ccc(cc1)-c1ccccc1N

InChI:

InChI=1/C12H10FN/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8H,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.6161 kcal/mol

Physical Properties
Molecular Weight: 187.217 g/mol	logS: -3.82712	SlogP: 3.0749	Reactive groups: 0

Topological Properties
Globularity: 0.0660597	Sterimol/B1: 2.39218	Sterimol/B2: 2.39668	Sterimol/B3: 3.13788
Sterimol/B4: 5.62183	Sterimol/L: 12.4326

Surface and Volume Properties
Accessible surface: 380.563	Positive charged surface: 200.112	Negative charged surface: 176.55	Volume: 183.75
Hydrophobic surface: 337.425	Hydrophilic surface: 43.138

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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.