MMsINC Database Search


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MMsINC code: MMs02828904

Type: Neutral
Formula: C₂₁H₁₄F₄N₂

SMILES:

Fc1cccc(F)c1-c1nc2c(n1Cc1c(F)cccc1F)cccc2C

InChI:

InChI=1/C21H14F4N2/c1-12-5-2-10-18-20(12)26-21(19-16(24)8-4-9-17(19)25)27(18)11-13-14(22)6-3-7-15(13)23/h2-10H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.9343 kcal/mol

Physical Properties
Molecular Weight: 370.349 g/mol	logS: -7.49254	SlogP: 5.88282	Reactive groups: 0

Topological Properties
Globularity: 0.192323	Sterimol/B1: 2.29762	Sterimol/B2: 2.561	Sterimol/B3: 5.14332
Sterimol/B4: 9.18962	Sterimol/L: 13.4973

Surface and Volume Properties
Accessible surface: 557.812	Positive charged surface: 290.757	Negative charged surface: 267.055	Volume: 320.75
Hydrophobic surface: 537.996	Hydrophilic surface: 19.816

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.