MMsINC Database Search


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MMsINC code: MMs00524140

Type: Neutral
Formula: C₂₀H₁₈FN₅

SMILES:

Fc1cc(Nc2nc3c(nc2-n2nc(cc2C)C)cccc3)ccc1C

InChI:

InChI=1/C20H18FN5/c1-12-8-9-15(11-16(12)21)22-19-20(26-14(3)10-13(2)25-26)24-18-7-5-4-6-17(18)23-19/h4-11H,1-3H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.668 kcal/mol

Physical Properties
Molecular Weight: 347.397 g/mol	logS: -4.16306	SlogP: 4.62346	Reactive groups: 0

Topological Properties
Globularity: 0.079326	Sterimol/B1: 3.82163	Sterimol/B2: 3.98497	Sterimol/B3: 5.29627
Sterimol/B4: 8.59999	Sterimol/L: 14.5076

Surface and Volume Properties
Accessible surface: 613.321	Positive charged surface: 357.547	Negative charged surface: 255.774	Volume: 331.375
Hydrophobic surface: 558.467	Hydrophilic surface: 54.854

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.