MMsINC Database Search


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MMsINC code: MMs01208487

Type: Neutral
Formula: C₂₃H₁₉FN₄O₂

SMILES:

Fc1ccccc1C(=O)Nc1ccc(-n2nc(OC)nc2-c2ccc(cc2)C)cc1

InChI:

InChI=1/C23H19FN4O2/c1-15-7-9-16(10-8-15)21-26-23(30-2)27-28(21)18-13-11-17(12-14-18)25-22(29)19-5-3-4-6-20(19)24/h3-14H,1-2H3,(H,25,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.373 kcal/mol

Physical Properties
Molecular Weight: 402.429 g/mol	logS: -7.77792	SlogP: 4.64272	Reactive groups: 0

Topological Properties
Globularity: 0.0561021	Sterimol/B1: 2.00664	Sterimol/B2: 3.04016	Sterimol/B3: 4.50256
Sterimol/B4: 11.9685	Sterimol/L: 17.9707

Surface and Volume Properties
Accessible surface: 674.186	Positive charged surface: 399.794	Negative charged surface: 274.392	Volume: 376
Hydrophobic surface: 590.421	Hydrophilic surface: 83.765

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.