MMsINC Database Search


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MMsINC code: MMs00919713

Type: Neutral
Formula: C₁₈H₁₃FN₂O₃

SMILES:

Fc1ccc(cc1)-c1onc(c1)C(=O)Nc1cc(ccc1)C(=O)C

InChI:

InChI=1/C18H13FN2O3/c1-11(22)13-3-2-4-15(9-13)20-18(23)16-10-17(24-21-16)12-5-7-14(19)8-6-12/h2-10H,1H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.3854 kcal/mol

Physical Properties
Molecular Weight: 324.311 g/mol	logS: -5.15657	SlogP: 3.9356	Reactive groups: 0

Topological Properties
Globularity: 0.0108776	Sterimol/B1: 2.44213	Sterimol/B2: 2.52735	Sterimol/B3: 2.92318
Sterimol/B4: 6.64447	Sterimol/L: 18.5065

Surface and Volume Properties
Accessible surface: 568.328	Positive charged surface: 280.877	Negative charged surface: 287.452	Volume: 293
Hydrophobic surface: 451.586	Hydrophilic surface: 116.742

Pharmacophoric Properties
Hydrogen bond donors: 1	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.