MMsINC Database Search


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MMsINC code: MMs00846766

Type: Neutral
Formula: C₂₀H₁₃FN₂

SMILES:

Fc1cc2nc(c(nc2cc1)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C20H13FN2/c21-16-11-12-17-18(13-16)23-20(15-9-5-2-6-10-15)19(22-17)14-7-3-1-4-8-14/h1-13H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.835 kcal/mol

Physical Properties
Molecular Weight: 300.336 g/mol	logS: -5.76942	SlogP: 5.1029	Reactive groups: 0

Topological Properties
Globularity: 0.0596871	Sterimol/B1: 2.78272	Sterimol/B2: 2.92755	Sterimol/B3: 3.60186
Sterimol/B4: 8.50279	Sterimol/L: 13.5014

Surface and Volume Properties
Accessible surface: 522.674	Positive charged surface: 278.955	Negative charged surface: 238.97	Volume: 287.25
Hydrophobic surface: 483.634	Hydrophilic surface: 39.04

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.