MMsINC Database Search


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MMsINC code: MMs03006410

Type: Neutral
Formula: C₁₅H₁₀F₂N₂

SMILES:

Fc1cc(F)ccc1Nc1nc2c(cc1)cccc2

InChI:

InChI=1/C15H10F2N2/c16-11-6-7-14(12(17)9-11)19-15-8-5-10-3-1-2-4-13(10)18-15/h1-9H,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.4119 kcal/mol

Physical Properties
Molecular Weight: 256.255 g/mol	logS: -4.49496	SlogP: 4.2566	Reactive groups: 0

Topological Properties
Globularity: 0.0233988	Sterimol/B1: 2.3886	Sterimol/B2: 2.96612	Sterimol/B3: 3.4737
Sterimol/B4: 5.91638	Sterimol/L: 13.7841

Surface and Volume Properties
Accessible surface: 449.761	Positive charged surface: 221.85	Negative charged surface: 222.564	Volume: 230.625
Hydrophobic surface: 416.219	Hydrophilic surface: 33.542

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.