MMsINC Database Search


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MMsINC code: MMs02609604

Type: Neutral
Formula: C₁₄H₉FN₂

SMILES:

Fc1ccccc1-c1nc2ncccc2cc1

InChI:

InChI=1/C14H9FN2/c15-12-6-2-1-5-11(12)13-8-7-10-4-3-9-16-14(10)17-13/h1-9H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.8933 kcal/mol

Physical Properties
Molecular Weight: 224.238 g/mol	logS: -5.11506	SlogP: 3.4359	Reactive groups: 0

Topological Properties
Globularity: 1.43906e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.09924	Sterimol/B3: 3.36834
Sterimol/B4: 4.86183	Sterimol/L: 14.1806

Surface and Volume Properties
Accessible surface: 421.426	Positive charged surface: 220.75	Negative charged surface: 189.605	Volume: 211.25
Hydrophobic surface: 384.141	Hydrophilic surface: 37.285

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.