MMsINC Database Search


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MMsINC code: MMs01962343

Type: Neutral
Formula: C₁₈H₁₅FN₂O₃

SMILES:

Fc1ccc(OCC(=O)Nc2onc(c2)-c2ccc(cc2)C)cc1

InChI:

InChI=1/C18H15FN2O3/c1-12-2-4-13(5-3-12)16-10-18(24-21-16)20-17(22)11-23-15-8-6-14(19)7-9-15/h2-10H,11H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.609 kcal/mol

Physical Properties
Molecular Weight: 326.327 g/mol	logS: -5.55338	SlogP: 3.80662	Reactive groups: 0

Topological Properties
Globularity: 0.00250647	Sterimol/B1: 2.37623	Sterimol/B2: 2.51217	Sterimol/B3: 3.57144
Sterimol/B4: 4.17867	Sterimol/L: 21.3275

Surface and Volume Properties
Accessible surface: 589.572	Positive charged surface: 311.696	Negative charged surface: 277.876	Volume: 298.5
Hydrophobic surface: 487.724	Hydrophilic surface: 101.848

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.