MMsINC Database Search


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MMsINC code: MMs00833736

Type: Neutral
Formula: C₂₀H₁₄FN₃O₂

SMILES:

Fc1ccccc1C(=O)Nc1cccc(-c2oc3cccnc3n2)c1C

InChI:

InChI=1/C20H14FN3O2/c1-12-13(20-24-18-17(26-20)10-5-11-22-18)7-4-9-16(12)23-19(25)14-6-2-3-8-15(14)21/h2-11H,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.919 kcal/mol

Physical Properties
Molecular Weight: 347.349 g/mol	logS: -7.57747	SlogP: 4.58962	Reactive groups: 0

Topological Properties
Globularity: 0.0200522	Sterimol/B1: 2.76223	Sterimol/B2: 3.21459	Sterimol/B3: 3.74453
Sterimol/B4: 6.80863	Sterimol/L: 18.5425

Surface and Volume Properties
Accessible surface: 576.05	Positive charged surface: 325.477	Negative charged surface: 250.574	Volume: 314.5
Hydrophobic surface: 491.866	Hydrophilic surface: 84.184

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.