MMsINC Database Search


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MMsINC code: MMs03449855

Type: Neutral
Formula: C₂₅H₁₈F₂N₂

SMILES:

Fc1cccc(F)c1Cn1c2c(nc1-c1cc3c(cc1)cccc3)c(ccc2)C

InChI:

InChI=1/C25H18F2N2/c1-16-6-4-11-23-24(16)28-25(19-13-12-17-7-2-3-8-18(17)14-19)29(23)15-20-21(26)9-5-10-22(20)27/h2-14H,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.4339 kcal/mol

Physical Properties
Molecular Weight: 384.429 g/mol	logS: -8.78046	SlogP: 6.75782	Reactive groups: 0

Topological Properties
Globularity: 0.135881	Sterimol/B1: 2.20322	Sterimol/B2: 3.24342	Sterimol/B3: 4.91606
Sterimol/B4: 10.442	Sterimol/L: 16.0009

Surface and Volume Properties
Accessible surface: 610.431	Positive charged surface: 340.34	Negative charged surface: 261.887	Volume: 365.25
Hydrophobic surface: 587.874	Hydrophilic surface: 22.557

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: 0

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Ions/Tautomers related molecules: no related molecules available.