MMsINC Database Search


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MMsINC code: MMs03381321

Type: Neutral
Formula: C₂₁H₂₄F₂N₂O₂

SMILES:

Fc1ccc(NC(=O)CCCCCCCC(=O)Nc2ccc(F)cc2)cc1

InChI:

InChI=1/C21H24F2N2O2/c22-16-8-12-18(13-9-16)24-20(26)6-4-2-1-3-5-7-21(27)25-19-14-10-17(23)11-15-19/h8-15H,1-7H2,(H,24,26)(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.4438 kcal/mol

Physical Properties
Molecular Weight: 374.431 g/mol	logS: -5.8864	SlogP: 5.2727	Reactive groups: 0

Topological Properties
Globularity: 0.0135807	Sterimol/B1: 2.18492	Sterimol/B2: 3.18514	Sterimol/B3: 3.67493
Sterimol/B4: 4.39211	Sterimol/L: 24.4047

Surface and Volume Properties
Accessible surface: 703.189	Positive charged surface: 442.767	Negative charged surface: 260.422	Volume: 355.5
Hydrophobic surface: 617.268	Hydrophilic surface: 85.921

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.