MMsINC Database Search


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MMsINC code: MMs01641211

Type: Neutral
Formula: C₂₀H₁₂FNO₂

SMILES:

Fc1cc(C(=O)c2cc3c4c(ccc3nc2)cccc4)c(O)cc1

InChI:

InChI=1/C20H12FNO2/c21-14-6-8-19(23)17(10-14)20(24)13-9-16-15-4-2-1-3-12(15)5-7-18(16)22-11-13/h1-11,23H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.5549 kcal/mol

Physical Properties
Molecular Weight: 317.319 g/mol	logS: -5.85714	SlogP: 4.4637	Reactive groups: 0

Topological Properties
Globularity: 0.0874021	Sterimol/B1: 2.61472	Sterimol/B2: 3.80322	Sterimol/B3: 3.99639
Sterimol/B4: 8.18635	Sterimol/L: 13.3772

Surface and Volume Properties
Accessible surface: 524.973	Positive charged surface: 266.303	Negative charged surface: 240.903	Volume: 290.625
Hydrophobic surface: 431.404	Hydrophilic surface: 93.569

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.