MMsINC Database Search


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MMsINC code: MMs02681409

Type: Neutral
Formula: C₁₇H₁₃F₂N₃O₃

SMILES:

Fc1cc(NC(=O)CCN2C(=O)c3c(NC2=O)cccc3)ccc1F

InChI:

InChI=1/C17H13F2N3O3/c18-12-6-5-10(9-13(12)19)20-15(23)7-8-22-16(24)11-3-1-2-4-14(11)21-17(22)25/h1-6,9H,7-8H2,(H,20,23)(H,21,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.227 kcal/mol

Physical Properties
Molecular Weight: 345.305 g/mol	logS: -4.30022	SlogP: 2.9813	Reactive groups: 0

Topological Properties
Globularity: 0.0406491	Sterimol/B1: 2.51636	Sterimol/B2: 2.78072	Sterimol/B3: 4.15521
Sterimol/B4: 5.26381	Sterimol/L: 18.8398

Surface and Volume Properties
Accessible surface: 558.49	Positive charged surface: 295.579	Negative charged surface: 262.911	Volume: 292
Hydrophobic surface: 424.596	Hydrophilic surface: 133.894

Pharmacophoric Properties
Hydrogen bond donors: 2	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.