MMsINC Database Search


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MMsINC code: MMs00853514

Type: Neutral
Formula: C₂₀H₁₂F₂N₄

SMILES:

Fc1cc2c(n(c3nc4c(nc23)cc(F)cc4)Cc2ncccc2)cc1

InChI:

InChI=1/C20H12F2N4/c21-12-5-7-18-15(9-12)19-20(26(18)11-14-3-1-2-8-23-14)25-16-6-4-13(22)10-17(16)24-19/h1-10H,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.2584 kcal/mol

Physical Properties
Molecular Weight: 346.34 g/mol	logS: -5.64573	SlogP: 4.7256	Reactive groups: 0

Topological Properties
Globularity: 0.105702	Sterimol/B1: 2.55723	Sterimol/B2: 3.23172	Sterimol/B3: 4.15068
Sterimol/B4: 10.6674	Sterimol/L: 13.717

Surface and Volume Properties
Accessible surface: 557.266	Positive charged surface: 310.881	Negative charged surface: 241.229	Volume: 308.625
Hydrophobic surface: 509.382	Hydrophilic surface: 47.884

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.