MMsINC Database Search


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MMsINC code: MMs02008342

Type: Neutral
Formula: C₂₀H₁₄F₂N₄O

SMILES:

Fc1cc(ccc1F)C(=O)Nc1cc(ccc1)-c1nc2n(C=CC=N2)c1C

InChI:

InChI=1/C20H14F2N4O/c1-12-18(25-20-23-8-3-9-26(12)20)13-4-2-5-15(10-13)24-19(27)14-6-7-16(21)17(22)11-14/h2-11H,1H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.144 kcal/mol

Physical Properties
Molecular Weight: 364.355 g/mol	logS: -6.33162	SlogP: 4.57562	Reactive groups: 0

Topological Properties
Globularity: 0.0240024	Sterimol/B1: 2.25012	Sterimol/B2: 3.62215	Sterimol/B3: 4.11985
Sterimol/B4: 7.50683	Sterimol/L: 17.9922

Surface and Volume Properties
Accessible surface: 595.262	Positive charged surface: 312.191	Negative charged surface: 283.072	Volume: 322.25
Hydrophobic surface: 479.761	Hydrophilic surface: 115.501

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.