MMsINC Database Search


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MMsINC code: MMs00285155

Type: Neutral
Formula: C₂₁H₂₄F₂N₂O₂

SMILES:

Fc1ccc(cc1)C(=O)NCCCCCCCNC(=O)c1ccc(F)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.8422 kcal/mol

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

Topological Properties
Globularity: 0.00529912	Sterimol/B1: 2.37447	Sterimol/B2: 2.37642	Sterimol/B3: 3.22792
Sterimol/B4: 5.32489	Sterimol/L: 24.4696

Surface and Volume Properties
Accessible surface: 696.22	Positive charged surface: 415.666	Negative charged surface: 280.555	Volume: 362.75
Hydrophobic surface: 611.32	Hydrophilic surface: 84.9

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.