MMsINC Database Search


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MMsINC code: MMs00897141

Type: Neutral
Formula: C₂₂H₁₆F₂N₂

SMILES:

Fc1ccc(cc1)-c1nc2cc(C)c(cc2nc1-c1ccc(F)cc1)C

InChI:

InChI=1/C22H16F2N2/c1-13-11-19-20(12-14(13)2)26-22(16-5-9-18(24)10-6-16)21(25-19)15-3-7-17(23)8-4-15/h3-12H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.613 kcal/mol

Physical Properties
Molecular Weight: 346.38 g/mol	logS: -7.01224	SlogP: 5.85884	Reactive groups: 0

Topological Properties
Globularity: 0.0409024	Sterimol/B1: 2.99325	Sterimol/B2: 3.35175	Sterimol/B3: 4.2729
Sterimol/B4: 7.13291	Sterimol/L: 14.5997

Surface and Volume Properties
Accessible surface: 574.715	Positive charged surface: 305.237	Negative charged surface: 265.013	Volume: 325
Hydrophobic surface: 537.432	Hydrophilic surface: 37.283

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.