MMsINC Database Search


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MMsINC code: MMs00885402

Type: Neutral
Formula: C₂₅H₁₉FN₄O

SMILES:

Fc1ccc(-n2cc(c3c2ncnc3Nc2ccccc2OC)-c2ccccc2)cc1

InChI:

InChI=1/C25H19FN4O/c1-31-22-10-6-5-9-21(22)29-24-23-20(17-7-3-2-4-8-17)15-30(25(23)28-16-27-24)19-13-11-18(26)12-14-19/h2-16H,1H3,(H,27,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.046 kcal/mol

Physical Properties
Molecular Weight: 410.452 g/mol	logS: -8.23589	SlogP: 5.9788	Reactive groups: 0

Topological Properties
Globularity: 0.057876	Sterimol/B1: 2.23748	Sterimol/B2: 4.84343	Sterimol/B3: 5.87691
Sterimol/B4: 6.60966	Sterimol/L: 17.4937

Surface and Volume Properties
Accessible surface: 661.489	Positive charged surface: 407.056	Negative charged surface: 249.659	Volume: 387.5
Hydrophobic surface: 601.129	Hydrophilic surface: 60.36

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: 0

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Ions/Tautomers related molecules: no related molecules available.