MMsINC Database Search


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MMsINC code: MMs02818356

Type: Neutral
Formula: C₂₂H₁₆F₄N₂

SMILES:

Fc1cccc(F)c1-c1nc2cc(C)c(cc2n1Cc1c(F)cccc1F)C

InChI:

InChI=1/C22H16F4N2/c1-12-9-19-20(10-13(12)2)28(11-14-15(23)5-3-6-16(14)24)22(27-19)21-17(25)7-4-8-18(21)26/h3-10H,11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.7673 kcal/mol

Physical Properties
Molecular Weight: 384.376 g/mol	logS: -8.27991	SlogP: 6.19124	Reactive groups: 0

Topological Properties
Globularity: 0.122511	Sterimol/B1: 2.72847	Sterimol/B2: 2.96055	Sterimol/B3: 4.79397
Sterimol/B4: 7.83451	Sterimol/L: 14.8207

Surface and Volume Properties
Accessible surface: 573.799	Positive charged surface: 305.805	Negative charged surface: 267.994	Volume: 339.25
Hydrophobic surface: 544.096	Hydrophilic surface: 29.703

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.