MMsINC Database Search


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MMsINC code: MMs01007664

Type: Neutral
Formula: C₂₀H₁₄F₂N₄

SMILES:

Fc1cc(F)ccc1Nc1nnc(c2c1cccc2)Cc1cccnc1

InChI:

InChI=1/C20H14F2N4/c21-14-7-8-18(17(22)11-14)24-20-16-6-2-1-5-15(16)19(25-26-20)10-13-4-3-9-23-12-13/h1-9,11-12H,10H2,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.679 kcal/mol

Physical Properties
Molecular Weight: 348.356 g/mol	logS: -5.21669	SlogP: 4.63737	Reactive groups: 0

Topological Properties
Globularity: 0.0641178	Sterimol/B1: 2.80393	Sterimol/B2: 3.71562	Sterimol/B3: 4.0472
Sterimol/B4: 9.01077	Sterimol/L: 15.2159

Surface and Volume Properties
Accessible surface: 567.029	Positive charged surface: 309.255	Negative charged surface: 248.636	Volume: 315.125
Hydrophobic surface: 515.267	Hydrophilic surface: 51.762

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.