MMsINC Database Search


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MMsINC code: MMs02678061

Type: Neutral
Formula: C₁₄H₁₀FN

SMILES:

Fc1ccc(cc1)-c1c2[nH]ccc2ccc1

InChI:

InChI=1/C14H10FN/c15-12-6-4-10(5-7-12)13-3-1-2-11-8-9-16-14(11)13/h1-9,16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.5092 kcal/mol

Physical Properties
Molecular Weight: 211.239 g/mol	logS: -4.39614	SlogP: 3.974	Reactive groups: 0

Topological Properties
Globularity: 0.0623275	Sterimol/B1: 2.50633	Sterimol/B2: 2.50672	Sterimol/B3: 3.2496
Sterimol/B4: 7.01589	Sterimol/L: 12.571

Surface and Volume Properties
Accessible surface: 412.146	Positive charged surface: 197.967	Negative charged surface: 203.094	Volume: 204.625
Hydrophobic surface: 370.33	Hydrophilic surface: 41.816

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.