MMsINC Database Search


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MMsINC code: MMs03432549

Type: Neutral
Formula: C₂₁H₁₆F₂N₂

SMILES:

Fc1cccc(F)c1Cn1c2c(nc1-c1ccccc1C)cccc2

InChI:

InChI=1/C21H16F2N2/c1-14-7-2-3-8-15(14)21-24-19-11-4-5-12-20(19)25(21)13-16-17(22)9-6-10-18(16)23/h2-12H,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.5425 kcal/mol

Physical Properties
Molecular Weight: 334.369 g/mol	logS: -7.21603	SlogP: 5.60462	Reactive groups: 0

Topological Properties
Globularity: 0.238963	Sterimol/B1: 2.25753	Sterimol/B2: 3.54285	Sterimol/B3: 6.2637
Sterimol/B4: 7.98894	Sterimol/L: 13.7937

Surface and Volume Properties
Accessible surface: 531.426	Positive charged surface: 305.279	Negative charged surface: 226.147	Volume: 316.125
Hydrophobic surface: 507.53	Hydrophilic surface: 23.896

Pharmacophoric Properties
Hydrogen bond donors: 0	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.