MMsINC Database Search


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MMsINC code: MMs01870846

Type: Neutral
Formula: C₂₂H₁₄FN₃O

SMILES:

Fc1ccc(Nc2nc(nc3c2oc2c3cccc2)-c2ccccc2)cc1

InChI:

InChI=1/C22H14FN3O/c23-15-10-12-16(13-11-15)24-22-20-19(17-8-4-5-9-18(17)27-20)25-21(26-22)14-6-2-1-3-7-14/h1-13H,(H,24,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.7578 kcal/mol

Physical Properties
Molecular Weight: 355.372 g/mol	logS: -8.46077	SlogP: 5.9257	Reactive groups: 0

Topological Properties
Globularity: 0.0165244	Sterimol/B1: 2.50789	Sterimol/B2: 2.56895	Sterimol/B3: 3.14273
Sterimol/B4: 10.4909	Sterimol/L: 16.0888

Surface and Volume Properties
Accessible surface: 592.303	Positive charged surface: 311.932	Negative charged surface: 269.125	Volume: 328.5
Hydrophobic surface: 532.537	Hydrophilic surface: 59.766

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.