MMsINC Database Search


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MMsINC code: MMs03084245

Type: Neutral
Formula: C₁₇H₁₄FN₃O₃

SMILES:

Fc1cc(NC(=O)C2=Cc3c(OC2=N)c(ncc3CO)C)ccc1

InChI:

InChI=1/C17H14FN3O3/c1-9-15-13(10(8-22)7-20-9)6-14(16(19)24-15)17(23)21-12-4-2-3-11(18)5-12/h2-7,19,22H,8H2,1H3,(H,21,23)/b19-16-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.3018 kcal/mol

Physical Properties
Molecular Weight: 327.315 g/mol	logS: -4.09903	SlogP: 2.67959	Reactive groups: 0

Topological Properties
Globularity: 0.0169027	Sterimol/B1: 2.01751	Sterimol/B2: 2.61939	Sterimol/B3: 2.74793
Sterimol/B4: 8.60923	Sterimol/L: 15.9789

Surface and Volume Properties
Accessible surface: 551.975	Positive charged surface: 341.939	Negative charged surface: 210.036	Volume: 289.5
Hydrophobic surface: 391.13	Hydrophilic surface: 160.845

Pharmacophoric Properties
Hydrogen bond donors: 3	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.