MMsINC Database Search


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MMsINC code: MMs01966301

Type: Neutral
Formula: C₁₈H₁₇FN₄O₄

SMILES:

Fc1ccc(NC(=O)NCc2onc(n2)-c2cc(OC)c(OC)cc2)cc1

InChI:

InChI=1/C18H17FN4O4/c1-25-14-8-3-11(9-15(14)26-2)17-22-16(27-23-17)10-20-18(24)21-13-6-4-12(19)5-7-13/h3-9H,10H2,1-2H3,(H2,20,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.7229 kcal/mol

Physical Properties
Molecular Weight: 372.356 g/mol	logS: -5.39068	SlogP: 3.481	Reactive groups: 0

Topological Properties
Globularity: 0.0353984	Sterimol/B1: 1.969	Sterimol/B2: 3.18489	Sterimol/B3: 4.32084
Sterimol/B4: 7.59055	Sterimol/L: 21.034

Surface and Volume Properties
Accessible surface: 653.544	Positive charged surface: 424.788	Negative charged surface: 228.756	Volume: 329.125
Hydrophobic surface: 512.517	Hydrophilic surface: 141.027

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.