MMsINC Database Search


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MMsINC code: MMs02106883

Type: Neutral
Formula: C₂₃H₁₅F₂N₃O

SMILES:

Fc1cc(NC(=O)c2cnc(nc2-c2ccccc2)-c2ccccc2)ccc1F

InChI:

InChI=1/C23H15F2N3O/c24-19-12-11-17(13-20(19)25)27-23(29)18-14-26-22(16-9-5-2-6-10-16)28-21(18)15-7-3-1-4-8-15/h1-14H,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.672 kcal/mol

Physical Properties
Molecular Weight: 387.389 g/mol	logS: -7.92853	SlogP: 5.3411	Reactive groups: 0

Topological Properties
Globularity: 0.0301031	Sterimol/B1: 2.4664	Sterimol/B2: 3.09084	Sterimol/B3: 3.34955
Sterimol/B4: 9.22193	Sterimol/L: 18.6919

Surface and Volume Properties
Accessible surface: 638.532	Positive charged surface: 341.59	Negative charged surface: 289.332	Volume: 349.125
Hydrophobic surface: 599.544	Hydrophilic surface: 38.988

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.