MMsINC Database Search


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MMsINC code: MMs00661539

Type: Neutral
Formula: C₂₀H₁₄FN₃O₄

SMILES:

Fc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1

InChI:

InChI=1/C20H14FN3O4/c21-17-7-3-1-5-15(17)19(25)22-13-9-11-14(12-10-13)23-20(26)16-6-2-4-8-18(16)24(27)28/h1-12H,(H,22,25)(H,23,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.63 kcal/mol

Physical Properties
Molecular Weight: 379.347 g/mol	logS: -6.41007	SlogP: 4.2385	Reactive groups: 0

Topological Properties
Globularity: 0.0391043	Sterimol/B1: 2.68861	Sterimol/B2: 2.8451	Sterimol/B3: 4.98378
Sterimol/B4: 5.58403	Sterimol/L: 20.4684

Surface and Volume Properties
Accessible surface: 620.526	Positive charged surface: 296.146	Negative charged surface: 324.38	Volume: 329.375
Hydrophobic surface: 485.188	Hydrophilic surface: 135.338

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.