MMsINC Database Search


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MMsINC code: MMs00664219

Type: Neutral
Formula: C₂₁H₁₆FN₃O₃

SMILES:

Fc1ccc(cc1)-c1onc(n1)-c1ccc(nc1OC)-c1ccc(OC)cc1

InChI:

InChI=1/C21H16FN3O3/c1-26-16-9-5-13(6-10-16)18-12-11-17(21(23-18)27-2)19-24-20(28-25-19)14-3-7-15(22)8-4-14/h3-12H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.591 kcal/mol

Physical Properties
Molecular Weight: 377.375 g/mol	logS: -7.88161	SlogP: 4.6219	Reactive groups: 0

Topological Properties
Globularity: 0.00259053	Sterimol/B1: 2.37522	Sterimol/B2: 2.37949	Sterimol/B3: 3.10525
Sterimol/B4: 8.03933	Sterimol/L: 21.5406

Surface and Volume Properties
Accessible surface: 644.869	Positive charged surface: 384.787	Negative charged surface: 254.546	Volume: 344.125
Hydrophobic surface: 565.219	Hydrophilic surface: 79.65

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.