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MMsINC code: MMs03752651

Type: Neutral
Formula: C₂₁H₁₅FN₂O₃

SMILES:

Fc1ccc(cc1)CC(=O)Nc1nc-2c(c(c1)C)C(Oc1c-2cccc1)=O

InChI:

InChI=1/C21H15FN2O3/c1-12-10-17(23-18(25)11-13-6-8-14(22)9-7-13)24-20-15-4-2-3-5-16(15)27-21(26)19(12)20/h2-10H,11H2,1H3,(H,23,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.63 kcal/mol

Physical Properties
Molecular Weight: 362.36 g/mol	logS: -6.51384	SlogP: 3.90989	Reactive groups: 0

Topological Properties
Globularity: 0.0475525	Sterimol/B1: 2.39986	Sterimol/B2: 3.58316	Sterimol/B3: 3.71885
Sterimol/B4: 9.8879	Sterimol/L: 15.4392

Surface and Volume Properties
Accessible surface: 591.659	Positive charged surface: 330.878	Negative charged surface: 256.111	Volume: 325.75
Hydrophobic surface: 488.001	Hydrophilic surface: 103.658

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.