MMsINC Database Search


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MMsINC code: MMs03084219

Type: Neutral
Formula: C₁₉H₁₂F₂N₂

SMILES:

Fc1cc(F)ccc1Nc1c2c(nc3c1cccc3)cccc2

InChI:

InChI=1/C19H12F2N2/c20-12-9-10-18(15(21)11-12)23-19-13-5-1-3-7-16(13)22-17-8-4-2-6-14(17)19/h1-11H,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.0198 kcal/mol

Physical Properties
Molecular Weight: 306.315 g/mol	logS: -6.03038	SlogP: 5.4098	Reactive groups: 0

Topological Properties
Globularity: 0.162779	Sterimol/B1: 2.449	Sterimol/B2: 3.49949	Sterimol/B3: 4.61603
Sterimol/B4: 9.61736	Sterimol/L: 12.3783

Surface and Volume Properties
Accessible surface: 511.657	Positive charged surface: 252.003	Negative charged surface: 253.815	Volume: 279.375
Hydrophobic surface: 471.874	Hydrophilic surface: 39.783

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.