MMsINC Database Search


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MMsINC code: MMs00589647

Type: Neutral
Formula: C₂₀H₁₃FN₂O₂

SMILES:

Fc1cc(ccc1)C(=O)Nc1cc2nc(oc2cc1)-c1ccccc1

InChI:

InChI=1/C20H13FN2O2/c21-15-8-4-7-14(11-15)19(24)22-16-9-10-18-17(12-16)23-20(25-18)13-5-2-1-3-6-13/h1-12H,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.7685 kcal/mol

Physical Properties
Molecular Weight: 332.334 g/mol	logS: -6.96552	SlogP: 4.8862	Reactive groups: 0

Topological Properties
Globularity: 0.00884664	Sterimol/B1: 2.5095	Sterimol/B2: 2.95002	Sterimol/B3: 3.69869
Sterimol/B4: 5.34127	Sterimol/L: 19.9729

Surface and Volume Properties
Accessible surface: 581.976	Positive charged surface: 297.463	Negative charged surface: 284.513	Volume: 304.5
Hydrophobic surface: 506.009	Hydrophilic surface: 75.967

Pharmacophoric Properties
Hydrogen bond donors: 1	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.