MMsINC Database Search


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MMsINC code: MMs02988695

Type: Neutral
Formula: C₂₁H₂₄F₂N₂O₂

SMILES:

Fc1cc(ccc1)C(=O)NCCCCCCCNC(=O)c1cc(F)ccc1

InChI:

InChI=1/C21H24F2N2O2/c22-18-10-6-8-16(14-18)20(26)24-12-4-2-1-3-5-13-25-21(27)17-9-7-11-19(23)15-17/h6-11,14-15H,1-5,12-13H2,(H,24,26)(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.3575 kcal/mol

Physical Properties
Molecular Weight: 374.431 g/mol	logS: -5.38374	SlogP: 4.0751	Reactive groups: 0

Topological Properties
Globularity: 0.00532247	Sterimol/B1: 2.37493	Sterimol/B2: 2.37583	Sterimol/B3: 4.02981
Sterimol/B4: 4.80435	Sterimol/L: 24.4694

Surface and Volume Properties
Accessible surface: 703.585	Positive charged surface: 417.875	Negative charged surface: 285.71	Volume: 360.75
Hydrophobic surface: 617.707	Hydrophilic surface: 85.878

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.