MMsINC Database Search


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MMsINC code: MMs01190906

Type: Neutral
Formula: C₂₀H₁₄FN₃O₂

SMILES:

Fc1ccccc1C(=O)Nc1cccc(C)c1-c1oc2cccnc2n1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.766 kcal/mol

Physical Properties
Molecular Weight: 347.349 g/mol	logS: -7.89092	SlogP: 4.58962	Reactive groups: 0

Topological Properties
Globularity: 0.0414268	Sterimol/B1: 2.88958	Sterimol/B2: 3.04583	Sterimol/B3: 5.16883
Sterimol/B4: 8.54584	Sterimol/L: 14.0967

Surface and Volume Properties
Accessible surface: 570.31	Positive charged surface: 324.885	Negative charged surface: 245.424	Volume: 315.5
Hydrophobic surface: 494.706	Hydrophilic surface: 75.604

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.